Cyclopenol

Compound Structure:

Synonyms:

Cyclophenol; Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, cis-(-); 3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione

Compound ID:

NMPC-930

PubChem ID:

101201

Molecular Formula:

C17H14N2O4

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O

InChIKey:

BDDNYDPRCCDQQJ-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	310.30 g/mol
XLogP3-AA	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	310.09535693 g/mol
Monoisotopic Mass	310.09535693 g/mol
Topological Polar Surface Area	82.2Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Dacryodes edulis
Landolphia owariensis

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