2-cyclopropyl-N-pent-4-ynylpropanamide

C11H17NO — CID 103721944

IUPAC2-cyclopropyl-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)C1CC1
InChIInChI=1S/C11H17NO/c1-3-4-5-8-12-11(13)9(2)10-6-7-10/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyVTAAROKDYKOTCK-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds5

About 2-cyclopropyl-N-pent-4-ynylpropanamide

2-cyclopropyl-N-pent-4-ynylpropanamide (PubChem CID 103721944) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-cyclopropyl-N-pent-4-ynylpropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-pent-4-ynylpropanamide
PubChem CID103721944
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-cyclopropyl-N-pent-4-ynylpropanamide
SMILESC#CCCCNC(=O)C(C)C1CC1
InChIInChI=1S/C11H17NO/c1-3-4-5-8-12-11(13)9(2)10-6-7-10/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyVTAAROKDYKOTCK-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-pent-4-ynylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-(methylamino)-N-pent-4-ynylpropanamide
CID 106221794
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-butyl-2-cyclopentylpropanamide
CID 173178636
3-amino-2-methyl-N-pent-4-ynylpropanamide
CID 106221793
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-pent-4-ynylpropanamide?
The IUPAC name of 2-cyclopropyl-N-pent-4-ynylpropanamide (CID 103721944) is 2-cyclopropyl-N-pent-4-ynylpropanamide.
What is the SMILES notation for 2-cyclopropyl-N-pent-4-ynylpropanamide?
The canonical SMILES for 2-cyclopropyl-N-pent-4-ynylpropanamide is C#CCCCNC(=O)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-pent-4-ynylpropanamide?
The InChIKey is VTAAROKDYKOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-5-8-12-11(13)9(2)10-6-7-10/h1,9-10H,4-8H2,2H3,(H,12,13).
What are the key properties of 2-cyclopropyl-N-pent-4-ynylpropanamide?
2-cyclopropyl-N-pent-4-ynylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-pent-4-ynylpropanamide is sourced from PubChem (CID 103721944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).