(E)-N,N-dimethylhex-3-enamide

C8H15NO — CID 5366310

IUPAC(E)-N,N-dimethylhex-3-enamide
SMILESCC/C=C/CC(=O)N(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyIYIAYDOBDLJVRC-AATRIKPKSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds3

About (E)-N,N-dimethylhex-3-enamide

(E)-N,N-dimethylhex-3-enamide (PubChem CID 5366310) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N,N-dimethylhex-3-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethylhex-3-enamide
PubChem CID5366310
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N,N-dimethylhex-3-enamide
SMILESCC/C=C/CC(=O)N(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-7-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyIYIAYDOBDLJVRC-AATRIKPKSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
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,N-dimethylhex-3-enamide?
The IUPAC name of (E)-N,N-dimethylhex-3-enamide (CID 5366310) is (E)-N,N-dimethylhex-3-enamide.
What is the SMILES notation for (E)-N,N-dimethylhex-3-enamide?
The canonical SMILES for (E)-N,N-dimethylhex-3-enamide is CC/C=C/CC(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethylhex-3-enamide?
The InChIKey is IYIAYDOBDLJVRC-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7-8(10)9(2)3/h5-6H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-N,N-dimethylhex-3-enamide?
(E)-N,N-dimethylhex-3-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylhex-3-enamide is sourced from PubChem (CID 5366310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).