(E)-N-ethenyl-3-methylhex-2-enamide

C9H15NO — CID 121464241

IUPAC(E)-N-ethenyl-3-methylhex-2-enamide
SMILESC=CNC(=O)/C=C(\C)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)7-9(11)10-5-2/h5,7H,2,4,6H2,1,3H3,(H,10,11)/b8-7+
InChIKeyOKEFRVIUWLWXLU-BQYQJAHWSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds4

About (E)-N-ethenyl-3-methylhex-2-enamide

(E)-N-ethenyl-3-methylhex-2-enamide (PubChem CID 121464241) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-ethenyl-3-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-ethenyl-3-methylhex-2-enamide
PubChem CID121464241
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-ethenyl-3-methylhex-2-enamide
SMILESC=CNC(=O)/C=C(\C)CCC
InChIInChI=1S/C9H15NO/c1-4-6-8(3)7-9(11)10-5-2/h5,7H,2,4,6H2,1,3H3,(H,10,11)/b8-7+
InChIKeyOKEFRVIUWLWXLU-BQYQJAHWSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
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 (E)-N-ethenyl-3-methylhex-2-enamide?
The IUPAC name of (E)-N-ethenyl-3-methylhex-2-enamide (CID 121464241) is (E)-N-ethenyl-3-methylhex-2-enamide.
What is the SMILES notation for (E)-N-ethenyl-3-methylhex-2-enamide?
The canonical SMILES for (E)-N-ethenyl-3-methylhex-2-enamide is C=CNC(=O)/C=C(\C)CCC.
What is the InChIKey of (E)-N-ethenyl-3-methylhex-2-enamide?
The InChIKey is OKEFRVIUWLWXLU-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-8(3)7-9(11)10-5-2/h5,7H,2,4,6H2,1,3H3,(H,10,11)/b8-7+.
What are the key properties of (E)-N-ethenyl-3-methylhex-2-enamide?
(E)-N-ethenyl-3-methylhex-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-methylhex-2-enamide is sourced from PubChem (CID 121464241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).