N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide

C13H21NO — CID 88563257

IUPACN-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide
SMILESC=C(C)/C=C(C)/C(=C\C)CCNC(C)=O
InChIInChI=1S/C13H21NO/c1-6-13(7-8-14-12(5)15)11(4)9-10(2)3/h6,9H,2,7-8H2,1,3-5H3,(H,14,15)/b11-9+,13-6-
InChIKeyQYYVQLVMRIMDQB-XEUZVJIISA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds5

About N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide

N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide (PubChem CID 88563257) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide
PubChem CID88563257
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide
SMILESC=C(C)/C=C(C)/C(=C\C)CCNC(C)=O
InChIInChI=1S/C13H21NO/c1-6-13(7-8-14-12(5)15)11(4)9-10(2)3/h6,9H,2,7-8H2,1,3-5H3,(H,14,15)/b11-9+,13-6-
InChIKeyQYYVQLVMRIMDQB-XEUZVJIISA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
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-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide?
The IUPAC name of N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide (CID 88563257) is N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide.
What is the SMILES notation for N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide?
The canonical SMILES for N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide is C=C(C)/C=C(C)/C(=C\C)CCNC(C)=O.
What is the InChIKey of N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide?
The InChIKey is QYYVQLVMRIMDQB-XEUZVJIISA-N. The full InChI is InChI=1S/C13H21NO/c1-6-13(7-8-14-12(5)15)11(4)9-10(2)3/h6,9H,2,7-8H2,1,3-5H3,(H,14,15)/b11-9+,13-6-.
What are the key properties of N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide?
N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,4E)-3-ethylidene-4,6-dimethylhepta-4,6-dienyl]acetamide is sourced from PubChem (CID 88563257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).