5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

C12H10N2O — CID 68878670

IUPAC5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESO=C1c2ccccc2NC=C2C=CCN12
InChIInChI=1S/C12H10N2O/c15-12-10-5-1-2-6-11(10)13-8-9-4-3-7-14(9)12/h1-6,8,13H,7H2
InChIKeyVXFJXGBKZXTZLP-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.97
Rot. Bonds

About 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (PubChem CID 68878670) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.

Molecular Properties

Compound Name5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
PubChem CID68878670
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESO=C1c2ccccc2NC=C2C=CCN12
InChIInChI=1S/C12H10N2O/c15-12-10-5-1-2-6-11(10)13-8-9-4-3-7-14(9)12/h1-6,8,13H,7H2
InChIKeyVXFJXGBKZXTZLP-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 23574486
5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
CID 3576033
5-oxa-3,10-diazatricyclo[9.4.0.03,7]pentadeca-1(15),8,11,13-tetraen-2-one
CID 137484681
9H-pyrido[2,1-b][1,3]benzothiazin-11-one
CID 67401116
4-hydroxy-3,3a,10,10a-tetrahydrocyclopenta[b][1,4]benzodiazepin-5-one
CID 75084297
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
3-amino-2-methyl-1,2-dihydroquinazolin-4-one
CID 126639334
6-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 72556320
6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one
CID 135300900
4H-pyrazino[1,2-b]isoindol-6-one
CID 156744636
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one
CID 134916233

Frequently Asked Questions

What is the IUPAC name of 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The IUPAC name of 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (CID 68878670) is 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
What is the SMILES notation for 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The canonical SMILES for 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is O=C1c2ccccc2NC=C2C=CCN12.
What is the InChIKey of 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The InChIKey is VXFJXGBKZXTZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-10-5-1-2-6-11(10)13-8-9-4-3-7-14(9)12/h1-6,8,13H,7H2.
What are the key properties of 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one has a molecular weight of 198.23 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is sourced from PubChem (CID 68878670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).