1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one

C13H22N2O — CID 22984690

IUPAC1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC=CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3
InChIKeyUEZRXMYJYOVYKQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.69
Rot. Bonds2

About 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one

1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984690) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
PubChem CID22984690
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2CC=CC2)C1=O
InChIInChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3
InChIKeyUEZRXMYJYOVYKQ-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one (CID 22984690) is 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(C2CC=CC2)C1=O.
What is the InChIKey of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is UEZRXMYJYOVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11/h3-4,10-12,14H,5-9H2,1-2H3.
What are the key properties of 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one?
1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).