7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one

C14H18N2O2 — CID 115099669

IUPAC7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
SMILESCN1CC2(CCCC2)C(=O)Nc2ccc(O)cc21
InChIInChI=1S/C14H18N2O2/c1-16-9-14(6-2-3-7-14)13(18)15-11-5-4-10(17)8-12(11)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyWUMLEOWKTGLPEF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds

About 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one

7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one (PubChem CID 115099669) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
PubChem CID115099669
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
SMILESCN1CC2(CCCC2)C(=O)Nc2ccc(O)cc21
InChIInChI=1S/C14H18N2O2/c1-16-9-14(6-2-3-7-14)13(18)15-11-5-4-10(17)8-12(11)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyWUMLEOWKTGLPEF-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one?
The IUPAC name of 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one (CID 115099669) is 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one?
The canonical SMILES for 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one is CN1CC2(CCCC2)C(=O)Nc2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one?
The InChIKey is WUMLEOWKTGLPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-9-14(6-2-3-7-14)13(18)15-11-5-4-10(17)8-12(11)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,15,18).
What are the key properties of 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one?
7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 115099669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).