(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide

C10H17NO — CID 13405139

IUPAC(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)/b5-4+,7-6+
InChIKeyDHXYPSWRPDLKGG-YTXTXJHMSA-N
MW167.25 g/mol
LogP1.89
Rot. Bonds4

About (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide (PubChem CID 13405139) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
PubChem CID13405139
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)/b5-4+,7-6+
InChIKeyDHXYPSWRPDLKGG-YTXTXJHMSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide (CID 13405139) is (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide?
The InChIKey is DHXYPSWRPDLKGG-YTXTXJHMSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-7-10(12)11-8-9(2)3/h4-7,9H,8H2,1-3H3,(H,11,12)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide 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 (2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 13405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).