(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide

C11H19NO — CID 89102853

IUPAC(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide
SMILESC=C(C)CC(C/C=C/C)C(=O)NC
InChIInChI=1S/C11H19NO/c1-5-6-7-10(8-9(2)3)11(13)12-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13)/b6-5+
InChIKeyZHLNDYAQXALHIY-AATRIKPKSA-N
MW181.28 g/mol
LogP2.28
Rot. Bonds5

About (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide

(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide (PubChem CID 89102853) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide
PubChem CID89102853
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide
SMILESC=C(C)CC(C/C=C/C)C(=O)NC
InChIInChI=1S/C11H19NO/c1-5-6-7-10(8-9(2)3)11(13)12-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13)/b6-5+
InChIKeyZHLNDYAQXALHIY-AATRIKPKSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.28
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 (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The IUPAC name of (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide (CID 89102853) is (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide.
What is the SMILES notation for (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The canonical SMILES for (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide is C=C(C)CC(C/C=C/C)C(=O)NC.
What is the InChIKey of (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide?
The InChIKey is ZHLNDYAQXALHIY-AATRIKPKSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-7-10(8-9(2)3)11(13)12-4/h5-6,10H,2,7-8H2,1,3-4H3,(H,12,13)/b6-5+.
What are the key properties of (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide?
(E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide has a molecular weight of 181.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-(2-methylprop-2-enyl)hex-4-enamide is sourced from PubChem (CID 89102853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).