1,5-dimethyl-3H-azepin-2-one

C8H11NO — CID 11469112

IUPAC1,5-dimethyl-3H-azepin-2-one
SMILESCC1=CCC(=O)N(C)C=C1
InChIInChI=1S/C8H11NO/c1-7-3-4-8(10)9(2)6-5-7/h3,5-6H,4H2,1-2H3
InChIKeyARHKZFNQXUWMBD-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.31
Rot. Bonds

About 1,5-dimethyl-3H-azepin-2-one

1,5-dimethyl-3H-azepin-2-one (PubChem CID 11469112) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,5-dimethyl-3H-azepin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-3H-azepin-2-one
PubChem CID11469112
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,5-dimethyl-3H-azepin-2-one
SMILESCC1=CCC(=O)N(C)C=C1
InChIInChI=1S/C8H11NO/c1-7-3-4-8(10)9(2)6-5-7/h3,5-6H,4H2,1-2H3
InChIKeyARHKZFNQXUWMBD-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethylcyclohepta-2,4,6-triene-1-carboxamide
CID 12672584
4-fluoro-1-methyl-3H-azepin-2-one
CID 155260665
8-Methylpyrido[1,2-a]azepin-6(7H)-one
CID 15129811
(3E,5Z)-N,N-dimethyl-3,5-heptadienamide
CID 24977731
N-acetylazepinone
CID 129741214
CID 155934035
CID 155934035
3-Ethyl-1-methylpyridin-2-one
CID 12220596
(4Z,6Z,8Z)-1-ethenyl-3H-azonin-2-one
CID 19362062
1-ethenyl-3H-azepin-2-one
CID 19362091
1-methyl-3H-azepin-2-one
CID 19881567
6-chloro-1-methyl-3H-azepin-2-one
CID 19881571
1-ethyl-3H-azepin-2-one
CID 22403117

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3H-azepin-2-one?
The IUPAC name of 1,5-dimethyl-3H-azepin-2-one (CID 11469112) is 1,5-dimethyl-3H-azepin-2-one.
What is the SMILES notation for 1,5-dimethyl-3H-azepin-2-one?
The canonical SMILES for 1,5-dimethyl-3H-azepin-2-one is CC1=CCC(=O)N(C)C=C1.
What is the InChIKey of 1,5-dimethyl-3H-azepin-2-one?
The InChIKey is ARHKZFNQXUWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-3-4-8(10)9(2)6-5-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 1,5-dimethyl-3H-azepin-2-one?
1,5-dimethyl-3H-azepin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3H-azepin-2-one is sourced from PubChem (CID 11469112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).