2-cyclohexyl-N-prop-2-enylacetamide

C11H19NO — CID 4254190

IUPAC2-cyclohexyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-8-12-11(13)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,12,13)
InChIKeyJWRUMBJKUSELBH-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds4

About 2-cyclohexyl-N-prop-2-enylacetamide

2-cyclohexyl-N-prop-2-enylacetamide (PubChem CID 4254190) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclohexyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-prop-2-enylacetamide
PubChem CID4254190
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-cyclohexyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CC1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-8-12-11(13)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,12,13)
InChIKeyJWRUMBJKUSELBH-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-prop-2-enylacetamide?
The IUPAC name of 2-cyclohexyl-N-prop-2-enylacetamide (CID 4254190) is 2-cyclohexyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-cyclohexyl-N-prop-2-enylacetamide is C=CCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-prop-2-enylacetamide?
The InChIKey is JWRUMBJKUSELBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-8-12-11(13)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2,(H,12,13).
What are the key properties of 2-cyclohexyl-N-prop-2-enylacetamide?
2-cyclohexyl-N-prop-2-enylacetamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-prop-2-enylacetamide is sourced from PubChem (CID 4254190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).