N-hexa-2,4-dienyl-2-methylpropanamide

C10H17NO — CID 57034461

IUPACN-hexa-2,4-dienyl-2-methylpropanamide
SMILESCC=CC=CCNC(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)
InChIKeyIBWIEEUQARTASL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.89
Rot. Bonds4

About N-hexa-2,4-dienyl-2-methylpropanamide

N-hexa-2,4-dienyl-2-methylpropanamide (PubChem CID 57034461) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-hexa-2,4-dienyl-2-methylpropanamide.

Molecular Properties

Compound NameN-hexa-2,4-dienyl-2-methylpropanamide
PubChem CID57034461
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-hexa-2,4-dienyl-2-methylpropanamide
SMILESCC=CC=CCNC(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)
InChIKeyIBWIEEUQARTASL-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-hexa-2,4-dienyl-2-methylpropanamide?
The IUPAC name of N-hexa-2,4-dienyl-2-methylpropanamide (CID 57034461) is N-hexa-2,4-dienyl-2-methylpropanamide.
What is the SMILES notation for N-hexa-2,4-dienyl-2-methylpropanamide?
The canonical SMILES for N-hexa-2,4-dienyl-2-methylpropanamide is CC=CC=CCNC(=O)C(C)C.
What is the InChIKey of N-hexa-2,4-dienyl-2-methylpropanamide?
The InChIKey is IBWIEEUQARTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-8-11-10(12)9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12).
What are the key properties of N-hexa-2,4-dienyl-2-methylpropanamide?
N-hexa-2,4-dienyl-2-methylpropanamide has a molecular weight of 167.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,4-dienyl-2-methylpropanamide is sourced from PubChem (CID 57034461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).