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

C10H15NO — CID 163189245

IUPAC(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
SMILESC=C[C@]1(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)/t10-/m1/s1
InChIKeySVOHYKNFWLSAJV-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds1

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

(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one (PubChem CID 163189245) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one.

Molecular Properties

Compound Name(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
PubChem CID163189245
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
SMILESC=C[C@]1(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)/t10-/m1/s1
InChIKeySVOHYKNFWLSAJV-SNVBAGLBSA-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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Related Compounds

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CID 15357510
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CID 11088867
2H-Pyrrol-2-one, 1,5-dihydro-5-methyl-5-propyl-, (5R)-
CID 11629620
N-(4-oxo-1-propylcyclohexa-2,5-dien-1-yl)acetamide
CID 12193493
3-Isopropyl-5,5-dimethyl-1H-pyrrol-2(5H)-one
CID 12570222
2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
CID 14484759
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
7,7-bis(prop-2-enyl)-1H-azepin-2-one
CID 67292869
6,7,7-trimethyl-1H-azepin-2-one
CID 67622730
6,6-Dimethyl-5,6-dihydropyridin-2(1H)-one
CID 71348150
(E)-2,4-dimethyl-N-(2-methylbutan-2-yl)pent-2-enamide
CID 117660537
3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide
CID 123303726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The IUPAC name of (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one (CID 163189245) is (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one.
What is the SMILES notation for (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The canonical SMILES for (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one is C=C[C@]1(C)CCC=C(C)C(=O)N1.
What is the InChIKey of (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
The InChIKey is SVOHYKNFWLSAJV-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one?
(2S)-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 (2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one is sourced from PubChem (CID 163189245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).