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

C12H8N2O — CID 67767526

IUPAC3H-cyclopenta[c][1,5]benzodiazepin-4-one
SMILESO=c1nc2ccccc2nc2c1CC=C2
InChIInChI=1S/C12H8N2O/c15-12-8-4-3-7-9(8)13-10-5-1-2-6-11(10)14-12/h1-3,5-7H,4H2
InChIKeyUHGOGIROJPHELX-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.56
Rot. Bonds

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

3H-cyclopenta[c][1,5]benzodiazepin-4-one (PubChem CID 67767526) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3H-cyclopenta[c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name3H-cyclopenta[c][1,5]benzodiazepin-4-one
PubChem CID67767526
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name3H-cyclopenta[c][1,5]benzodiazepin-4-one
SMILESO=c1nc2ccccc2nc2c1CC=C2
InChIInChI=1S/C12H8N2O/c15-12-8-4-3-7-9(8)13-10-5-1-2-6-11(10)14-12/h1-3,5-7H,4H2
InChIKeyUHGOGIROJPHELX-UHFFFAOYSA-N
XLogP1.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-cyclopenta[c][1,5]benzodiazepin-4-one?
The IUPAC name of 3H-cyclopenta[c][1,5]benzodiazepin-4-one (CID 67767526) is 3H-cyclopenta[c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 3H-cyclopenta[c][1,5]benzodiazepin-4-one?
The canonical SMILES for 3H-cyclopenta[c][1,5]benzodiazepin-4-one is O=c1nc2ccccc2nc2c1CC=C2.
What is the InChIKey of 3H-cyclopenta[c][1,5]benzodiazepin-4-one?
The InChIKey is UHGOGIROJPHELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-12-8-4-3-7-9(8)13-10-5-1-2-6-11(10)14-12/h1-3,5-7H,4H2.
What are the key properties of 3H-cyclopenta[c][1,5]benzodiazepin-4-one?
3H-cyclopenta[c][1,5]benzodiazepin-4-one has a molecular weight of 196.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclopenta[c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 67767526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).