N-(2-methylprop-2-enyl)cyclohexanecarboxamide

C11H19NO — CID 91695804

IUPACN-(2-methylprop-2-enyl)cyclohexanecarboxamide
SMILESC=C(C)CNC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3,(H,12,13)
InChIKeyLMHHTVHISHNOSS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-(2-methylprop-2-enyl)cyclohexanecarboxamide

N-(2-methylprop-2-enyl)cyclohexanecarboxamide (PubChem CID 91695804) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)cyclohexanecarboxamide
PubChem CID91695804
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(2-methylprop-2-enyl)cyclohexanecarboxamide
SMILESC=C(C)CNC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3,(H,12,13)
InChIKeyLMHHTVHISHNOSS-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(2-methylprop-2-enyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)cyclohexanecarboxamide (CID 91695804) is N-(2-methylprop-2-enyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)cyclohexanecarboxamide is C=C(C)CNC(=O)C1CCCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)cyclohexanecarboxamide?
The InChIKey is LMHHTVHISHNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h10H,1,3-8H2,2H3,(H,12,13).
What are the key properties of N-(2-methylprop-2-enyl)cyclohexanecarboxamide?
N-(2-methylprop-2-enyl)cyclohexanecarboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)cyclohexanecarboxamide is sourced from PubChem (CID 91695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).