2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one

C10H15NO — CID 14484759

IUPAC2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
SMILESC=CC1(C)CCC=C(C)C(=O)N1
InChIInChI=1S/C10H15NO/c1-4-10(3)7-5-6-8(2)9(12)11-10/h4,6H,1,5,7H2,2-3H3,(H,11,12)
InChIKeySVOHYKNFWLSAJV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds1

About 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one

2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one (PubChem CID 14484759) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
PubChem CID14484759
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
SMILESC=CC1(C)CCC=C(C)C(=O)N1
InChIInChI=1S/C10H15NO/c1-4-10(3)7-5-6-8(2)9(12)11-10/h4,6H,1,5,7H2,2-3H3,(H,11,12)
InChIKeySVOHYKNFWLSAJV-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The IUPAC name of 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one (CID 14484759) is 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one.
What is the SMILES notation for 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The canonical SMILES for 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one is C=CC1(C)CCC=C(C)C(=O)N1.
What is the InChIKey of 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The InChIKey is SVOHYKNFWLSAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-10(3)7-5-6-8(2)9(12)11-10/h4,6H,1,5,7H2,2-3H3,(H,11,12).
What are the key properties of 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one has a molecular weight of 165.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one is sourced from PubChem (CID 14484759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).