N-(4-ethylhexa-2,4-dienyl)acetamide

C10H17NO — CID 54529329

IUPACN-(4-ethylhexa-2,4-dienyl)acetamide
SMILESCC=C(C=CCNC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-10(5-2)7-6-8-11-9(3)12/h4,6-7H,5,8H2,1-3H3,(H,11,12)
InChIKeyYVJRDKVIQOIUDQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.04
Rot. Bonds4

About N-(4-ethylhexa-2,4-dienyl)acetamide

N-(4-ethylhexa-2,4-dienyl)acetamide (PubChem CID 54529329) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(4-ethylhexa-2,4-dienyl)acetamide.

Molecular Properties

Compound NameN-(4-ethylhexa-2,4-dienyl)acetamide
PubChem CID54529329
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(4-ethylhexa-2,4-dienyl)acetamide
SMILESCC=C(C=CCNC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-10(5-2)7-6-8-11-9(3)12/h4,6-7H,5,8H2,1-3H3,(H,11,12)
InChIKeyYVJRDKVIQOIUDQ-UHFFFAOYSA-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-(4-ethylhexa-2,4-dienyl)acetamide?
The IUPAC name of N-(4-ethylhexa-2,4-dienyl)acetamide (CID 54529329) is N-(4-ethylhexa-2,4-dienyl)acetamide.
What is the SMILES notation for N-(4-ethylhexa-2,4-dienyl)acetamide?
The canonical SMILES for N-(4-ethylhexa-2,4-dienyl)acetamide is CC=C(C=CCNC(C)=O)CC.
What is the InChIKey of N-(4-ethylhexa-2,4-dienyl)acetamide?
The InChIKey is YVJRDKVIQOIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-10(5-2)7-6-8-11-9(3)12/h4,6-7H,5,8H2,1-3H3,(H,11,12).
What are the key properties of N-(4-ethylhexa-2,4-dienyl)acetamide?
N-(4-ethylhexa-2,4-dienyl)acetamide 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-(4-ethylhexa-2,4-dienyl)acetamide is sourced from PubChem (CID 54529329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).