1-methyl-3,4-dihydro-2H-azepin-7-one

C7H11NO — CID 23402554

IUPAC1-methyl-3,4-dihydro-2H-azepin-7-one
SMILESCN1CCCC=CC1=O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h3,5H,2,4,6H2,1H3
InChIKeyCLIXCWLBXYWAPF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds

About 1-methyl-3,4-dihydro-2H-azepin-7-one

1-methyl-3,4-dihydro-2H-azepin-7-one (PubChem CID 23402554) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-azepin-7-one.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-azepin-7-one
PubChem CID23402554
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-methyl-3,4-dihydro-2H-azepin-7-one
SMILESCN1CCCC=CC1=O
InChIInChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h3,5H,2,4,6H2,1H3
InChIKeyCLIXCWLBXYWAPF-UHFFFAOYSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-azepin-7-one?
The IUPAC name of 1-methyl-3,4-dihydro-2H-azepin-7-one (CID 23402554) is 1-methyl-3,4-dihydro-2H-azepin-7-one.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-azepin-7-one?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-azepin-7-one is CN1CCCC=CC1=O.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-azepin-7-one?
The InChIKey is CLIXCWLBXYWAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-6-4-2-3-5-7(8)9/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-azepin-7-one?
1-methyl-3,4-dihydro-2H-azepin-7-one has a molecular weight of 125.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-azepin-7-one is sourced from PubChem (CID 23402554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).