2-methyl-N-(1-methylcyclohexyl)prop-2-enamide

C11H19NO — CID 58186034

IUPAC2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1(C)CCCCC1
InChIInChI=1S/C11H19NO/c1-9(2)10(13)12-11(3)7-5-4-6-8-11/h1,4-8H2,2-3H3,(H,12,13)
InChIKeyBVCNGEWJVBXSCQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide

2-methyl-N-(1-methylcyclohexyl)prop-2-enamide (PubChem CID 58186034) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
PubChem CID58186034
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1(C)CCCCC1
InChIInChI=1S/C11H19NO/c1-9(2)10(13)12-11(3)7-5-4-6-8-11/h1,4-8H2,2-3H3,(H,12,13)
InChIKeyBVCNGEWJVBXSCQ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide (CID 58186034) is 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide is C=C(C)C(=O)NC1(C)CCCCC1.
What is the InChIKey of 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide?
The InChIKey is BVCNGEWJVBXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)10(13)12-11(3)7-5-4-6-8-11/h1,4-8H2,2-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide?
2-methyl-N-(1-methylcyclohexyl)prop-2-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 58186034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).