N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide

C10H17NO — CID 89156158

IUPACN-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide
SMILESC/C=C\C=C(/C)CNC(=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(3)8-11-10(12)5-2/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+
InChIKeyVIBZQOJIBOPCLS-UNQQQNFISA-N
MW167.25 g/mol
LogP2.04
Rot. Bonds4

About N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide

N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide (PubChem CID 89156158) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide
PubChem CID89156158
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide
SMILESC/C=C\C=C(/C)CNC(=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-9(3)8-11-10(12)5-2/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+
InChIKeyVIBZQOJIBOPCLS-UNQQQNFISA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide?
The IUPAC name of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide (CID 89156158) is N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide.
What is the SMILES notation for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide?
The canonical SMILES for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide is C/C=C\C=C(/C)CNC(=O)CC.
What is the InChIKey of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide?
The InChIKey is VIBZQOJIBOPCLS-UNQQQNFISA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-9(3)8-11-10(12)5-2/h4,6-7H,5,8H2,1-3H3,(H,11,12)/b6-4-,9-7+.
What are the key properties of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide?
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide has a molecular weight of 167.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide is sourced from PubChem (CID 89156158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).