N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide

C12H19NO — CID 163872501

IUPACN-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide
SMILESC/C=C\C(=C/C=N/C(=O)C(C)C)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(6-2)8-9-13-12(14)10(3)4/h5,7-10H,6H2,1-4H3/b7-5-,11-8-,13-9+
InChIKeyPMBJPJQKZPQEOS-RJFIILCHSA-N
MW193.29 g/mol
LogP3.15
Rot. Bonds4

About N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide

N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide (PubChem CID 163872501) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide
PubChem CID163872501
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide
SMILESC/C=C\C(=C/C=N/C(=O)C(C)C)CC
InChIInChI=1S/C12H19NO/c1-5-7-11(6-2)8-9-13-12(14)10(3)4/h5,7-10H,6H2,1-4H3/b7-5-,11-8-,13-9+
InChIKeyPMBJPJQKZPQEOS-RJFIILCHSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide?
The IUPAC name of N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide (CID 163872501) is N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide.
What is the SMILES notation for N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide?
The canonical SMILES for N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide is C/C=C\C(=C/C=N/C(=O)C(C)C)CC.
What is the InChIKey of N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide?
The InChIKey is PMBJPJQKZPQEOS-RJFIILCHSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-7-11(6-2)8-9-13-12(14)10(3)4/h5,7-10H,6H2,1-4H3/b7-5-,11-8-,13-9+.
What are the key properties of N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide?
N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide has a molecular weight of 193.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-ethylhexa-2,4-dienylidene]-2-methylpropanamide is sourced from PubChem (CID 163872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).