N-pent-4-yn-2-ylcyclopentanecarboxamide

C11H17NO — CID 115661776

IUPACN-pent-4-yn-2-ylcyclopentanecarboxamide
SMILESC#CCC(C)NC(=O)C1CCCC1
InChIInChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyLMOMQMLZWBYOLC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds3

About N-pent-4-yn-2-ylcyclopentanecarboxamide

N-pent-4-yn-2-ylcyclopentanecarboxamide (PubChem CID 115661776) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-pent-4-yn-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-pent-4-yn-2-ylcyclopentanecarboxamide
PubChem CID115661776
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-pent-4-yn-2-ylcyclopentanecarboxamide
SMILESC#CCC(C)NC(=O)C1CCCC1
InChIInChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h1,9-10H,4-8H2,2H3,(H,12,13)
InChIKeyLMOMQMLZWBYOLC-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-yn-2-ylcyclopent-3-ene-1-carboxamide
CID 115661767
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
N-hex-5-yn-3-ylcyclooctanecarboxamide
CID 115647391
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-(5-aminohexan-2-yl)cyclohexanecarboxamide
CID 134308456
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-ylcyclopentanecarboxamide?
The IUPAC name of N-pent-4-yn-2-ylcyclopentanecarboxamide (CID 115661776) is N-pent-4-yn-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-pent-4-yn-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-pent-4-yn-2-ylcyclopentanecarboxamide is C#CCC(C)NC(=O)C1CCCC1.
What is the InChIKey of N-pent-4-yn-2-ylcyclopentanecarboxamide?
The InChIKey is LMOMQMLZWBYOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h1,9-10H,4-8H2,2H3,(H,12,13).
What are the key properties of N-pent-4-yn-2-ylcyclopentanecarboxamide?
N-pent-4-yn-2-ylcyclopentanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 115661776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).