2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one

C12H10N2O — CID 45491411

IUPAC2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one
SMILESO=C1CCC2=C1C=Nc1ccccc1N2
InChIInChI=1S/C12H10N2O/c15-12-6-5-9-8(12)7-13-10-3-1-2-4-11(10)14-9/h1-4,7,14H,5-6H2
InChIKeySJUHIPHPKLPYCP-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.43
Rot. Bonds

About 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one

2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one (PubChem CID 45491411) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one.

Molecular Properties

Compound Name2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one
PubChem CID45491411
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one
SMILESO=C1CCC2=C1C=Nc1ccccc1N2
InChIInChI=1S/C12H10N2O/c15-12-6-5-9-8(12)7-13-10-3-1-2-4-11(10)14-9/h1-4,7,14H,5-6H2
InChIKeySJUHIPHPKLPYCP-UHFFFAOYSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-ethyl-2,3,4,10-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one hydrochloride
CID 6603018
3,3-dimethyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 646551
3-methyl-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
CID 2980301
3,3-Dimethyl-2,3,4,10-tetrahydro-dibenzo[b,e][1,4]diazepin-1-one
CID 6603408
3,3,4,4,5,5,5-Heptafluoro-1-(4-trifluoromethyl-1,3-dihydrobenzo[b][1,4]diazepin-2-ylidene)pentan-2-one
CID 129705523
11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CID 941349
3-Carbamoyl-1,5-benzodiazepine
CID 21326919
1,3-Dihydro-2H-1,5-benzodiazepin-2-one
CID 22288313
[1,5]Benzodiazepine-2,3-dione
CID 23354073
1,2,3,4,10,11-Hexahydro-5h-dibenzo[b,e]-1,4-diazepin-1-one
CID 68990870
Hydroxy benzophenazine
CID 129648655
6-Ethyl-8,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 657419

Frequently Asked Questions

What is the IUPAC name of 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one?
The IUPAC name of 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one (CID 45491411) is 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one.
What is the SMILES notation for 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one?
The canonical SMILES for 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one is O=C1CCC2=C1C=Nc1ccccc1N2.
What is the InChIKey of 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one?
The InChIKey is SJUHIPHPKLPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-6-5-9-8(12)7-13-10-3-1-2-4-11(10)14-9/h1-4,7,14H,5-6H2.
What are the key properties of 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one?
2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one has a molecular weight of 198.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one is sourced from PubChem (CID 45491411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).