(E)-3-methylhex-3-enamide

C7H13NO — CID 15738712

IUPAC(E)-3-methylhex-3-enamide
SMILESCC/C=C(\C)CC(N)=O
InChIInChI=1S/C7H13NO/c1-3-4-6(2)5-7(8)9/h4H,3,5H2,1-2H3,(H2,8,9)/b6-4+
InChIKeyJEIROEQAHGPJGW-GQCTYLIASA-N
MW127.19 g/mol
LogP1.22
Rot. Bonds3

About (E)-3-methylhex-3-enamide

(E)-3-methylhex-3-enamide (PubChem CID 15738712) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-3-methylhex-3-enamide.

Molecular Properties

Compound Name(E)-3-methylhex-3-enamide
PubChem CID15738712
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-3-methylhex-3-enamide
SMILESCC/C=C(\C)CC(N)=O
InChIInChI=1S/C7H13NO/c1-3-4-6(2)5-7(8)9/h4H,3,5H2,1-2H3,(H2,8,9)/b6-4+
InChIKeyJEIROEQAHGPJGW-GQCTYLIASA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.22
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)-3-methylhex-3-enamide?
The IUPAC name of (E)-3-methylhex-3-enamide (CID 15738712) is (E)-3-methylhex-3-enamide.
What is the SMILES notation for (E)-3-methylhex-3-enamide?
The canonical SMILES for (E)-3-methylhex-3-enamide is CC/C=C(\C)CC(N)=O.
What is the InChIKey of (E)-3-methylhex-3-enamide?
The InChIKey is JEIROEQAHGPJGW-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-6(2)5-7(8)9/h4H,3,5H2,1-2H3,(H2,8,9)/b6-4+.
What are the key properties of (E)-3-methylhex-3-enamide?
(E)-3-methylhex-3-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylhex-3-enamide is sourced from PubChem (CID 15738712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).