N-(4-prop-1-en-2-ylcyclohexyl)acetamide

C11H19NO — CID 89012161

IUPACN-(4-prop-1-en-2-ylcyclohexyl)acetamide
SMILESC=C(C)C1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H19NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h10-11H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyHLGNFFUCWDYLDX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds2

About N-(4-prop-1-en-2-ylcyclohexyl)acetamide

N-(4-prop-1-en-2-ylcyclohexyl)acetamide (PubChem CID 89012161) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4-prop-1-en-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-prop-1-en-2-ylcyclohexyl)acetamide
PubChem CID89012161
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(4-prop-1-en-2-ylcyclohexyl)acetamide
SMILESC=C(C)C1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H19NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h10-11H,1,4-7H2,2-3H3,(H,12,13)
InChIKeyHLGNFFUCWDYLDX-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 N-(4-prop-1-en-2-ylcyclohexyl)acetamide?
The IUPAC name of N-(4-prop-1-en-2-ylcyclohexyl)acetamide (CID 89012161) is N-(4-prop-1-en-2-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(4-prop-1-en-2-ylcyclohexyl)acetamide?
The canonical SMILES for N-(4-prop-1-en-2-ylcyclohexyl)acetamide is C=C(C)C1CCC(NC(C)=O)CC1.
What is the InChIKey of N-(4-prop-1-en-2-ylcyclohexyl)acetamide?
The InChIKey is HLGNFFUCWDYLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-4-6-11(7-5-10)12-9(3)13/h10-11H,1,4-7H2,2-3H3,(H,12,13).
What are the key properties of N-(4-prop-1-en-2-ylcyclohexyl)acetamide?
N-(4-prop-1-en-2-ylcyclohexyl)acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-1-en-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 89012161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).