2-methyl-N-prop-2-enylcyclohexane-1-carboxamide

C11H19NO — CID 20565253

IUPAC2-methyl-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCCCC1C
InChIInChI=1S/C11H19NO/c1-3-8-12-11(13)10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyQQLPJOJTDORNQK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide

2-methyl-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 20565253) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID20565253
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCCCC1C
InChIInChI=1S/C11H19NO/c1-3-8-12-11(13)10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,12,13)
InChIKeyQQLPJOJTDORNQK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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-methyl-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide (CID 20565253) is 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide is C=CCNC(=O)C1CCCCC1C.
What is the InChIKey of 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is QQLPJOJTDORNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-8-12-11(13)10-7-5-4-6-9(10)2/h3,9-10H,1,4-8H2,2H3,(H,12,13).
What are the key properties of 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide?
2-methyl-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 20565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).