1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one

C14H24N2O — CID 22984677

IUPAC1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2C=CCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-14(2)8-9-16(11-6-4-5-7-11)13(17)12(10-14)15-3/h4,6,11-12,15H,5,7-10H2,1-3H3
InChIKeyIRCZLLPXKKNMSI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds2

About 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one

1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 22984677) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID22984677
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(C2C=CCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-14(2)8-9-16(11-6-4-5-7-11)13(17)12(10-14)15-3/h4,6,11-12,15H,5,7-10H2,1-3H3
InChIKeyIRCZLLPXKKNMSI-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hex-4-enamide
CID 11173161
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pent-4-enamide
CID 11390777
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
CID 156837616
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopent-2-en-1-ylacetamide
CID 18153592
N-[2-(azepan-1-yl)ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 53518516
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one
CID 20589714
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589715
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one
CID 20589716
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 20589717
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one
CID 20589718
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20589719
1-[(3,3-Dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one
CID 20589720

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 22984677) is 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(C2C=CCC2)C1=O.
What is the InChIKey of 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is IRCZLLPXKKNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)8-9-16(11-6-4-5-7-11)13(17)12(10-14)15-3/h4,6,11-12,15H,5,7-10H2,1-3H3.
What are the key properties of 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one?
1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).