1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one

C13H23NO — CID 79067295

IUPAC1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C13H23NO/c1-5-11(2)10-12(15)13(14(3)4)8-6-7-9-13/h2,5-10H2,1,3-4H3
InChIKeyISFWIOPBZOXIEF-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.79
Rot. Bonds5

About 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one

1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one (PubChem CID 79067295) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one
PubChem CID79067295
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one
SMILESC=C(CC)CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C13H23NO/c1-5-11(2)10-12(15)13(14(3)4)8-6-7-9-13/h2,5-10H2,1,3-4H3
InChIKeyISFWIOPBZOXIEF-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-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-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one?
The IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one (CID 79067295) is 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one is C=C(CC)CC(=O)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one?
The InChIKey is ISFWIOPBZOXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11(2)10-12(15)13(14(3)4)8-6-7-9-13/h2,5-10H2,1,3-4H3.
What are the key properties of 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one?
1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopentyl]-3-methylidenepentan-1-one is sourced from PubChem (CID 79067295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).