2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione

C17H13N3O2 — CID 134121440

IUPAC2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
SMILESO=C1Nc2ccccc2NC2=C1CN(c1ccccc1)C2=O
InChIInChI=1S/C17H13N3O2/c21-16-12-10-20(11-6-2-1-3-7-11)17(22)15(12)18-13-8-4-5-9-14(13)19-16/h1-9,18H,10H2,(H,19,21)
InChIKeyUNJQZGJUESDNEH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.35
Rot. Bonds1

About 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione

2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione (PubChem CID 134121440) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione.

Molecular Properties

Compound Name2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
PubChem CID134121440
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
SMILESO=C1Nc2ccccc2NC2=C1CN(c1ccccc1)C2=O
InChIInChI=1S/C17H13N3O2/c21-16-12-10-20(11-6-2-1-3-7-11)17(22)15(12)18-13-8-4-5-9-14(13)19-16/h1-9,18H,10H2,(H,19,21)
InChIKeyUNJQZGJUESDNEH-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;hydride;1-phenylimidazolidine-2,4-dione
CID 173461566
5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane
CID 142043029
1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
CID 71190811
4-phenyl-4,10-diazatricyclo[5.2.1.02,6]deca-1,6,8-trien-3-one
CID 154447499
(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one
CID 121221004
6-methyl-3-phenyl-1,4-dihydropyrimidin-2-one
CID 11715311
3-amino-5H-1,5-benzothiazepin-4-one
CID 70506908
4-imino-1-phenylimidazolidin-2-one
CID 152750114
(4R)-1-methyl-4,6-diphenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 755556
[4-[4-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]phenyl]methanesulfinic acid
CID 70335054
3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
CID 67834371
3-hydroxy-4-nitroso-1-phenyl-2H-pyrrol-5-one
CID 136663408

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The IUPAC name of 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione (CID 134121440) is 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione.
What is the SMILES notation for 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The canonical SMILES for 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione is O=C1Nc2ccccc2NC2=C1CN(c1ccccc1)C2=O.
What is the InChIKey of 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
The InChIKey is UNJQZGJUESDNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-12-10-20(11-6-2-1-3-7-11)17(22)15(12)18-13-8-4-5-9-14(13)19-16/h1-9,18H,10H2,(H,19,21).
What are the key properties of 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione?
2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione has a molecular weight of 291.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione is sourced from PubChem (CID 134121440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).