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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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).