N-cyclopentyl-N-methoxybut-2-ynamide

C10H15NO2 — CID 131176326

IUPACN-cyclopentyl-N-methoxybut-2-ynamide
SMILESCC#CC(=O)N(OC)C1CCCC1
InChIInChI=1S/C10H15NO2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h9H,4-5,7-8H2,1-2H3
InChIKeyQSUKNWALLWWLRO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.34
Rot. Bonds2

About N-cyclopentyl-N-methoxybut-2-ynamide

N-cyclopentyl-N-methoxybut-2-ynamide (PubChem CID 131176326) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-cyclopentyl-N-methoxybut-2-ynamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methoxybut-2-ynamide
PubChem CID131176326
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-cyclopentyl-N-methoxybut-2-ynamide
SMILESCC#CC(=O)N(OC)C1CCCC1
InChIInChI=1S/C10H15NO2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h9H,4-5,7-8H2,1-2H3
InChIKeyQSUKNWALLWWLRO-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-ethylbut-2-ynamide
CID 130634286
N-ethyl-N-piperidin-3-ylbut-2-ynamide
CID 107990351
N-cyclopentyl-N-methoxy-2,4-dimethylfuran-3-carboxamide
CID 21496541
3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-2-ynamide
CID 107990936
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311
methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate
CID 79896251
N-cyclopentyl-N-methoxy-2H-benzotriazole-4-carboxamide
CID 99577461
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methoxypropanamide
CID 106112194
N-(cyanomethyl)-N'-cyclopentyl-N'-(2-hydroxyethyl)oxamide
CID 54999160

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methoxybut-2-ynamide?
The IUPAC name of N-cyclopentyl-N-methoxybut-2-ynamide (CID 131176326) is N-cyclopentyl-N-methoxybut-2-ynamide.
What is the SMILES notation for N-cyclopentyl-N-methoxybut-2-ynamide?
The canonical SMILES for N-cyclopentyl-N-methoxybut-2-ynamide is CC#CC(=O)N(OC)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methoxybut-2-ynamide?
The InChIKey is QSUKNWALLWWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-6-10(12)11(13-2)9-7-4-5-8-9/h9H,4-5,7-8H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methoxybut-2-ynamide?
N-cyclopentyl-N-methoxybut-2-ynamide has a molecular weight of 181.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methoxybut-2-ynamide is sourced from PubChem (CID 131176326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).