N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide

C10H15NO — CID 177208233

IUPACN-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C/C=C(/CC)C(=C)NC(C)=O
InChIInChI=1S/C10H15NO/c1-5-7-10(6-2)8(3)11-9(4)12/h5,7H,1,3,6H2,2,4H3,(H,11,12)/b10-7-
InChIKeyZZTQBGCKRLUMIM-YFHOEESVSA-N
MW165.24 g/mol
LogP2.16
Rot. Bonds4

About N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide

N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide (PubChem CID 177208233) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
PubChem CID177208233
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
SMILESC=C/C=C(/CC)C(=C)NC(C)=O
InChIInChI=1S/C10H15NO/c1-5-7-10(6-2)8(3)11-9(4)12/h5,7H,1,3,6H2,2,4H3,(H,11,12)/b10-7-
InChIKeyZZTQBGCKRLUMIM-YFHOEESVSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
1-[(3E,5Z)-5-ethylocta-1,3,5,7-tetraen-4-yl]-3-methylurea
CID 138569425
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
CID 89197729
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;propane
CID 143474945
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
CID 145058576
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
N-[(3E)-hexa-1,3,5-trien-3-yl]propanamide;molecular hydrogen
CID 143474971
ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
CID 142287252
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide (CID 177208233) is N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide is C=C/C=C(/CC)C(=C)NC(C)=O.
What is the InChIKey of N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is ZZTQBGCKRLUMIM-YFHOEESVSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-7-10(6-2)8(3)11-9(4)12/h5,7H,1,3,6H2,2,4H3,(H,11,12)/b10-7-.
What are the key properties of N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide?
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 165.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 177208233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).