6-methyl-4-phenyl-1H-1,4-diazepin-7-one

C12H12N2O — CID 57151115

IUPAC6-methyl-4-phenyl-1H-1,4-diazepin-7-one
SMILESCC1=CN(c2ccccc2)C=CNC1=O
InChIInChI=1S/C12H12N2O/c1-10-9-14(8-7-13-12(10)15)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15)
InChIKeyYLSMOIIWKKPAHV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds1

About 6-methyl-4-phenyl-1H-1,4-diazepin-7-one

6-methyl-4-phenyl-1H-1,4-diazepin-7-one (PubChem CID 57151115) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methyl-4-phenyl-1H-1,4-diazepin-7-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-1H-1,4-diazepin-7-one
PubChem CID57151115
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-methyl-4-phenyl-1H-1,4-diazepin-7-one
SMILESCC1=CN(c2ccccc2)C=CNC1=O
InChIInChI=1S/C12H12N2O/c1-10-9-14(8-7-13-12(10)15)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15)
InChIKeyYLSMOIIWKKPAHV-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
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2-methyl-4-phenyl-1,4-benzoxazine
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3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione
CID 174814777
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-1H-1,4-diazepin-7-one?
The IUPAC name of 6-methyl-4-phenyl-1H-1,4-diazepin-7-one (CID 57151115) is 6-methyl-4-phenyl-1H-1,4-diazepin-7-one.
What is the SMILES notation for 6-methyl-4-phenyl-1H-1,4-diazepin-7-one?
The canonical SMILES for 6-methyl-4-phenyl-1H-1,4-diazepin-7-one is CC1=CN(c2ccccc2)C=CNC1=O.
What is the InChIKey of 6-methyl-4-phenyl-1H-1,4-diazepin-7-one?
The InChIKey is YLSMOIIWKKPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-9-14(8-7-13-12(10)15)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,15).
What are the key properties of 6-methyl-4-phenyl-1H-1,4-diazepin-7-one?
6-methyl-4-phenyl-1H-1,4-diazepin-7-one has a molecular weight of 200.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-1H-1,4-diazepin-7-one is sourced from PubChem (CID 57151115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).