1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione

C15H18N2O2 — CID 79910659

IUPAC1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
SMILESCCN1C(=O)C2(CCCC2)NC(=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-2-17-12-8-4-3-7-11(12)13(18)16-15(14(17)19)9-5-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyHRVUSOGXAXOYBW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.10
Rot. Bonds1

About 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione

1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione (PubChem CID 79910659) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione.

Molecular Properties

Compound Name1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
PubChem CID79910659
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
SMILESCCN1C(=O)C2(CCCC2)NC(=O)c2ccccc21
InChIInChI=1S/C15H18N2O2/c1-2-17-12-8-4-3-7-11(12)13(18)16-15(14(17)19)9-5-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)
InChIKeyHRVUSOGXAXOYBW-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)spiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79907372
1,2,2-triethyl-3H-quinazolin-4-one
CID 126962530
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 17121937
3-(2-methoxyphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 61290839
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
1-benzylspiro[3H-quinazoline-2,1'-cyclohexane]-4-one
CID 13441558
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190

Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The IUPAC name of 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione (CID 79910659) is 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione.
What is the SMILES notation for 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The canonical SMILES for 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione is CCN1C(=O)C2(CCCC2)NC(=O)c2ccccc21.
What is the InChIKey of 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
The InChIKey is HRVUSOGXAXOYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-17-12-8-4-3-7-11(12)13(18)16-15(14(17)19)9-5-6-10-15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18).
What are the key properties of 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione?
1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione is sourced from PubChem (CID 79910659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).