5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one

C12H12N2O — CID 121001951

IUPAC5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one
SMILESCC12C(=O)CNN1C=C2c1ccccc1
InChIInChI=1S/C12H12N2O/c1-12-10(9-5-3-2-4-6-9)8-14(12)13-7-11(12)15/h2-6,8,13H,7H2,1H3
InChIKeyQOGNYJICWWTUGS-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.19
Rot. Bonds1

About 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one

5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one (PubChem CID 121001951) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one.

Molecular Properties

Compound Name5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one
PubChem CID121001951
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one
SMILESCC12C(=O)CNN1C=C2c1ccccc1
InChIInChI=1S/C12H12N2O/c1-12-10(9-5-3-2-4-6-9)8-14(12)13-7-11(12)15/h2-6,8,13H,7H2,1H3
InChIKeyQOGNYJICWWTUGS-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one?
The IUPAC name of 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one (CID 121001951) is 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one.
What is the SMILES notation for 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one?
The canonical SMILES for 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one is CC12C(=O)CNN1C=C2c1ccccc1.
What is the InChIKey of 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one?
The InChIKey is QOGNYJICWWTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-12-10(9-5-3-2-4-6-9)8-14(12)13-7-11(12)15/h2-6,8,13H,7H2,1H3.
What are the key properties of 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one?
5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one has a molecular weight of 200.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-1,2-diazabicyclo[3.2.0]hept-6-en-4-one is sourced from PubChem (CID 121001951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).