2-cyclopropyl-N-pent-3-ynylacetamide

C10H15NO — CID 104581149

IUPAC2-cyclopropyl-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-11-10(12)8-9-5-6-9/h9H,4-8H2,1H3,(H,11,12)
InChIKeySCGFTGMNADQQRH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.32
Rot. Bonds4

About 2-cyclopropyl-N-pent-3-ynylacetamide

2-cyclopropyl-N-pent-3-ynylacetamide (PubChem CID 104581149) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-pent-3-ynylacetamide
PubChem CID104581149
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-cyclopropyl-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)CC1CC1
InChIInChI=1S/C10H15NO/c1-2-3-4-7-11-10(12)8-9-5-6-9/h9H,4-8H2,1H3,(H,11,12)
InChIKeySCGFTGMNADQQRH-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.32
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-3-ynylacetamide 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-(1,1-dioxothiolan-3-yl)-N-pent-3-ynylacetamide
CID 115977379
N-but-2-ynyl-2-cyclopentylacetamide
CID 130621524
2-chloro-N-pent-3-ynylacetamide
CID 116643290
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130
1-cyclopropylhept-5-yn-2-one
CID 104803463
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-pent-3-ynylcyclohexanecarboxamide
CID 115977262
N-(2-acetamidoethyl)-2-(4-aminocyclohexyl)acetamide
CID 55117197
1-methyl-3-pent-3-ynylurea
CID 116645214
N-pent-3-ynylbut-2-ynamide
CID 107992893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-pent-3-ynylacetamide?
The IUPAC name of 2-cyclopropyl-N-pent-3-ynylacetamide (CID 104581149) is 2-cyclopropyl-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-cyclopropyl-N-pent-3-ynylacetamide?
The canonical SMILES for 2-cyclopropyl-N-pent-3-ynylacetamide is CC#CCCNC(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-pent-3-ynylacetamide?
The InChIKey is SCGFTGMNADQQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-7-11-10(12)8-9-5-6-9/h9H,4-8H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-N-pent-3-ynylacetamide?
2-cyclopropyl-N-pent-3-ynylacetamide has a molecular weight of 165.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-pent-3-ynylacetamide is sourced from PubChem (CID 104581149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).