3-cyclopentyl-N-prop-2-ynylpropanamide

C11H17NO — CID 60646217

IUPAC3-cyclopentyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCC1CCCC1
InChIInChI=1S/C11H17NO/c1-2-9-12-11(13)8-7-10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13)
InChIKeyHURPXUOCEZYPSU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.71
Rot. Bonds4

About 3-cyclopentyl-N-prop-2-ynylpropanamide

3-cyclopentyl-N-prop-2-ynylpropanamide (PubChem CID 60646217) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-cyclopentyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-prop-2-ynylpropanamide
PubChem CID60646217
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-cyclopentyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCC1CCCC1
InChIInChI=1S/C11H17NO/c1-2-9-12-11(13)8-7-10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13)
InChIKeyHURPXUOCEZYPSU-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-N-prop-2-ynylpropanamide 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 3-cyclopentyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3-cyclopentyl-N-prop-2-ynylpropanamide (CID 60646217) is 3-cyclopentyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-prop-2-ynylpropanamide is C#CCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-prop-2-ynylpropanamide?
The InChIKey is HURPXUOCEZYPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-9-12-11(13)8-7-10-5-3-4-6-10/h1,10H,3-9H2,(H,12,13).
What are the key properties of 3-cyclopentyl-N-prop-2-ynylpropanamide?
3-cyclopentyl-N-prop-2-ynylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60646217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).