3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

C11H7N3O — CID 135755468

IUPAC3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESO=c1nc2ccccc2nc2cc[nH]c12
InChIInChI=1S/C11H7N3O/c15-11-10-9(5-6-12-10)13-7-3-1-2-4-8(7)14-11/h1-6,12H
InChIKeySJMHHTZCBFEXEN-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.47
Rot. Bonds

About 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (PubChem CID 135755468) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
PubChem CID135755468
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESO=c1nc2ccccc2nc2cc[nH]c12
InChIInChI=1S/C11H7N3O/c15-11-10-9(5-6-12-10)13-7-3-1-2-4-8(7)14-11/h1-6,12H
InChIKeySJMHHTZCBFEXEN-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The IUPAC name of 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (CID 135755468) is 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is O=c1nc2ccccc2nc2cc[nH]c12.
What is the InChIKey of 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The InChIKey is SJMHHTZCBFEXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-11-10-9(5-6-12-10)13-7-3-1-2-4-8(7)14-11/h1-6,12H.
What are the key properties of 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one has a molecular weight of 197.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 135755468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).