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

C12H20N2O — CID 22984675

IUPAC1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2C=CCC2)C1=O
InChIInChI=1S/C12H20N2O/c1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10/h2,6,10-11,13H,3-5,7-9H2,1H3
InChIKeyNAYGZGONFQOONL-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds2

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

1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one (PubChem CID 22984675) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one
PubChem CID22984675
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(C2C=CCC2)C1=O
InChIInChI=1S/C12H20N2O/c1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10/h2,6,10-11,13H,3-5,7-9H2,1H3
InChIKeyNAYGZGONFQOONL-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
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-2-en-1-yl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one (CID 22984675) is 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one is CNC1CCCCN(C2C=CCC2)C1=O.
What is the InChIKey of 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one?
The InChIKey is NAYGZGONFQOONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10/h2,6,10-11,13H,3-5,7-9H2,1H3.
What are the key properties of 1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one?
1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.31, 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-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).