N-cyclohex-3-en-1-ylbut-2-ynamide

C10H13NO — CID 130621125

IUPACN-cyclohex-3-en-1-ylbut-2-ynamide
SMILESCC#CC(=O)NC1CC=CCC1
InChIInChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-4,9H,5,7-8H2,1H3,(H,11,12)
InChIKeyXOBWODWQTHYHOI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.23
Rot. Bonds1

About N-cyclohex-3-en-1-ylbut-2-ynamide

N-cyclohex-3-en-1-ylbut-2-ynamide (PubChem CID 130621125) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-cyclohex-3-en-1-ylbut-2-ynamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-ylbut-2-ynamide
PubChem CID130621125
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-cyclohex-3-en-1-ylbut-2-ynamide
SMILESCC#CC(=O)NC1CC=CCC1
InChIInChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-4,9H,5,7-8H2,1H3,(H,11,12)
InChIKeyXOBWODWQTHYHOI-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.23
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

(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
N-(3-propan-2-ylcyclobutyl)but-2-ynamide
CID 131038848
propan-2-yl N-cyclohex-3-en-1-ylcarbamate
CID 116656490
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471
N-methylcyclohex-3-en-1-amine
CID 12702515
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976203
N-(azepan-4-yl)but-2-ynamide
CID 107990995
N-[(1R,2R)-2-hydroxycyclohexyl]but-2-ynamide
CID 107989705
2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide
CID 107339064
1-cyclohex-3-en-1-yl-3-prop-2-ynylthiourea
CID 130693981

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-ylbut-2-ynamide?
The IUPAC name of N-cyclohex-3-en-1-ylbut-2-ynamide (CID 130621125) is N-cyclohex-3-en-1-ylbut-2-ynamide.
What is the SMILES notation for N-cyclohex-3-en-1-ylbut-2-ynamide?
The canonical SMILES for N-cyclohex-3-en-1-ylbut-2-ynamide is CC#CC(=O)NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-ylbut-2-ynamide?
The InChIKey is XOBWODWQTHYHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-6-10(12)11-9-7-4-3-5-8-9/h3-4,9H,5,7-8H2,1H3,(H,11,12).
What are the key properties of N-cyclohex-3-en-1-ylbut-2-ynamide?
N-cyclohex-3-en-1-ylbut-2-ynamide has a molecular weight of 163.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-ylbut-2-ynamide is sourced from PubChem (CID 130621125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).