(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide

C12H21NO — CID 142552133

IUPAC(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide
SMILESC/C=C\C(=C/C)CC(=O)NCCCC
InChIInChI=1S/C12H21NO/c1-4-7-9-13-12(14)10-11(6-3)8-5-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,13,14)/b8-5-,11-6+
InChIKeyLOSASBFLUAOKEV-CWQCMXISSA-N
MW195.31 g/mol
LogP2.82
Rot. Bonds6

About (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide

(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide (PubChem CID 142552133) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide.

Molecular Properties

Compound Name(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide
PubChem CID142552133
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide
SMILESC/C=C\C(=C/C)CC(=O)NCCCC
InChIInChI=1S/C12H21NO/c1-4-7-9-13-12(14)10-11(6-3)8-5-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,13,14)/b8-5-,11-6+
InChIKeyLOSASBFLUAOKEV-CWQCMXISSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide?
The IUPAC name of (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide (CID 142552133) is (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide.
What is the SMILES notation for (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide?
The canonical SMILES for (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide is C/C=C\C(=C/C)CC(=O)NCCCC.
What is the InChIKey of (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide?
The InChIKey is LOSASBFLUAOKEV-CWQCMXISSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-9-13-12(14)10-11(6-3)8-5-2/h5-6,8H,4,7,9-10H2,1-3H3,(H,13,14)/b8-5-,11-6+.
What are the key properties of (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide?
(Z,3Z)-N-butyl-3-ethylidenehex-4-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-N-butyl-3-ethylidenehex-4-enamide is sourced from PubChem (CID 142552133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).