1-(2-methylphenyl)-1,4-diazepan-2-one

C12H16N2O — CID 82282881

IUPAC1-(2-methylphenyl)-1,4-diazepan-2-one
SMILESCc1ccccc1N1CCCNCC1=O
InChIInChI=1S/C12H16N2O/c1-10-5-2-3-6-11(10)14-8-4-7-13-9-12(14)15/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyXUVYNGIIUKFJJY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds1

About 1-(2-methylphenyl)-1,4-diazepan-2-one

1-(2-methylphenyl)-1,4-diazepan-2-one (PubChem CID 82282881) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-1,4-diazepan-2-one
PubChem CID82282881
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-methylphenyl)-1,4-diazepan-2-one
SMILESCc1ccccc1N1CCCNCC1=O
InChIInChI=1S/C12H16N2O/c1-10-5-2-3-6-11(10)14-8-4-7-13-9-12(14)15/h2-3,5-6,13H,4,7-9H2,1H3
InChIKeyXUVYNGIIUKFJJY-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
CID 117016162
4-(2-methylphenyl)-1,4-diazepan-5-one
CID 45096923
1-phenyl-1,4-diazepan-2-one
CID 69457460
1-(5-methylthiophen-2-yl)-1,4-diazepan-2-one
CID 115101874
1-(2-methylphenyl)azepane-2,4-dione
CID 139237469
1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
CID 115101870
1-[2-(2-methylphenyl)ethyl]-1,4-diazepan-2-one
CID 82289755
4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
1-(3-methyl-2-pyridinyl)piperazin-2-one
CID 50987689
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1,4-diazepan-2-one?
The IUPAC name of 1-(2-methylphenyl)-1,4-diazepan-2-one (CID 82282881) is 1-(2-methylphenyl)-1,4-diazepan-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-1,4-diazepan-2-one?
The canonical SMILES for 1-(2-methylphenyl)-1,4-diazepan-2-one is Cc1ccccc1N1CCCNCC1=O.
What is the InChIKey of 1-(2-methylphenyl)-1,4-diazepan-2-one?
The InChIKey is XUVYNGIIUKFJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-5-2-3-6-11(10)14-8-4-7-13-9-12(14)15/h2-3,5-6,13H,4,7-9H2,1H3.
What are the key properties of 1-(2-methylphenyl)-1,4-diazepan-2-one?
1-(2-methylphenyl)-1,4-diazepan-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1,4-diazepan-2-one is sourced from PubChem (CID 82282881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).