N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide

C10H17NO — CID 101347648

IUPACN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
SMILESCC/C=C/C(=C/NC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+
InChIKeyPHAAGKICWSOZDU-LQPGMRSMSA-N
MW167.25 g/mol
LogP2.38
Rot. Bonds4

About N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide

N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide (PubChem CID 101347648) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
PubChem CID101347648
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
SMILESCC/C=C/C(=C/NC(C)=O)CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+
InChIKeyPHAAGKICWSOZDU-LQPGMRSMSA-N
XLogP2.38
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 ≤ 52.38
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-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide (CID 101347648) is N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide is CC/C=C/C(=C/NC(C)=O)CC.
What is the InChIKey of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
The InChIKey is PHAAGKICWSOZDU-LQPGMRSMSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-10(5-2)8-11-9(3)12/h6-8H,4-5H2,1-3H3,(H,11,12)/b7-6+,10-8+.
What are the key properties of N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide?
N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide has a molecular weight of 167.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide is sourced from PubChem (CID 101347648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).