N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide

C13H19NO — CID 170190976

IUPACN-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
SMILESC=C/C(C)=C\C(=C/C(=C)C)CNC(C)=O
InChIInChI=1S/C13H19NO/c1-6-11(4)8-13(7-10(2)3)9-14-12(5)15/h6-8H,1-2,9H2,3-5H3,(H,14,15)/b11-8-,13-7+
InChIKeyNAIWDMXNSJSFOH-ZXOVQVMPSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds5

About N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide

N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide (PubChem CID 170190976) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
PubChem CID170190976
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
SMILESC=C/C(C)=C\C(=C/C(=C)C)CNC(C)=O
InChIInChI=1S/C13H19NO/c1-6-11(4)8-13(7-10(2)3)9-14-12(5)15/h6-8H,1-2,9H2,3-5H3,(H,14,15)/b11-8-,13-7+
InChIKeyNAIWDMXNSJSFOH-ZXOVQVMPSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
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-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide?
The IUPAC name of N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide (CID 170190976) is N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide.
What is the SMILES notation for N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide?
The canonical SMILES for N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide is C=C/C(C)=C\C(=C/C(=C)C)CNC(C)=O.
What is the InChIKey of N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide?
The InChIKey is NAIWDMXNSJSFOH-ZXOVQVMPSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-11(4)8-13(7-10(2)3)9-14-12(5)15/h6-8H,1-2,9H2,3-5H3,(H,14,15)/b11-8-,13-7+.
What are the key properties of N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide?
N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide is sourced from PubChem (CID 170190976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).