7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

C13H14N2O — CID 138482516

IUPAC7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESCC1CCN2C(=O)c3ccccc3N=CC12
InChIInChI=1S/C13H14N2O/c1-9-6-7-15-12(9)8-14-11-5-3-2-4-10(11)13(15)16/h2-5,8-9,12H,6-7H2,1H3
InChIKeyPTYXUAYFFWOVQS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.25
Rot. Bonds

About 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (PubChem CID 138482516) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.

Molecular Properties

Compound Name7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
PubChem CID138482516
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SMILESCC1CCN2C(=O)c3ccccc3N=CC12
InChIInChI=1S/C13H14N2O/c1-9-6-7-15-12(9)8-14-11-5-3-2-4-10(11)13(15)16/h2-5,8-9,12H,6-7H2,1H3
InChIKeyPTYXUAYFFWOVQS-UHFFFAOYSA-N
XLogP2.25
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-6a,7,8,9-tetrahydropyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The IUPAC name of 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (CID 138482516) is 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
What is the SMILES notation for 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The canonical SMILES for 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is CC1CCN2C(=O)c3ccccc3N=CC12.
What is the InChIKey of 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
The InChIKey is PTYXUAYFFWOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-7-15-12(9)8-14-11-5-3-2-4-10(11)13(15)16/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one?
7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one has a molecular weight of 214.27 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one is sourced from PubChem (CID 138482516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).