1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one

C15H26N2O — CID 22984652

IUPAC1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2CCC=CCC2)CCCC1C
InChIInChI=1S/C15H26N2O/c1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13/h3-4,12-14,16H,5-11H2,1-2H3
InChIKeyURHNIPHOYGTDDI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds2

About 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one

1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984652) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
PubChem CID22984652
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2CCC=CCC2)CCCC1C
InChIInChI=1S/C15H26N2O/c1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13/h3-4,12-14,16H,5-11H2,1-2H3
InChIKeyURHNIPHOYGTDDI-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one (CID 22984652) is 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(C2CCC=CCC2)CCCC1C.
What is the InChIKey of 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is URHNIPHOYGTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13/h3-4,12-14,16H,5-11H2,1-2H3.
What are the key properties of 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one?
1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).