N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide

C11H15NO — CID 114389785

IUPACN-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
SMILESC#CC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H15NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h1,4-5,9-10H,6-8H2,2H3,(H,12,13)
InChIKeyOXOQAPPXNSISFK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.48
Rot. Bonds2

About N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide

N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 114389785) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID114389785
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
SMILESC#CC(C)NC(=O)C1CC=CCC1
InChIInChI=1S/C11H15NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h1,4-5,9-10H,6-8H2,2H3,(H,12,13)
InChIKeyOXOQAPPXNSISFK-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-methylcyclohex-3-ene-1-carboxamide
CID 2780388
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
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(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
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N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
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2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878
N-cyclohexyl-2-methyl-5-propan-2-ylidenecyclopent-2-ene-1-carboxamide
CID 284625
N-butyl-2-cyclopent-2-en-1-ylacetamide
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(1S,6R)-6-amino-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
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(1S,6S)-6-amino-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide (CID 114389785) is N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide is C#CC(C)NC(=O)C1CC=CCC1.
What is the InChIKey of N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is OXOQAPPXNSISFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9(2)12-11(13)10-7-5-4-6-8-10/h1,4-5,9-10H,6-8H2,2H3,(H,12,13).
What are the key properties of N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide?
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 114389785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).