N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide

C13H21NO — CID 143012155

IUPACN-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide
SMILESC/C=C\C=C(/C=C\CC)CN(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-5-7-9-13(10-8-6-2)11-14(4)12(3)15/h5,7-10H,6,11H2,1-4H3/b7-5-,10-8-,13-9+
InChIKeyXOOVWQAQHDYAOL-XZLBKBBJSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds5

About N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide

N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide (PubChem CID 143012155) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide
PubChem CID143012155
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide
SMILESC/C=C\C=C(/C=C\CC)CN(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-5-7-9-13(10-8-6-2)11-14(4)12(3)15/h5,7-10H,6,11H2,1-4H3/b7-5-,10-8-,13-9+
InChIKeyXOOVWQAQHDYAOL-XZLBKBBJSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-Dihydropyridin-1(2h)-yl)ethanone
CID 279717
1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
lithium N,N-diethylbenzamide
CID 12872035
1-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-3,6-dihydro-2H-pyridin-1-yl]-2,2,2-trifluoroethanone;ethane
CID 143157782
ethane;N-[(3Z)-3-ethenylhexa-3,5-dienyl]-2,2,2-trifluoro-N-methylacetamide
CID 143447833
2,2,2-trifluoro-N-methyl-N-[(Z)-2-methylidenepent-3-enyl]acetamide
CID 153550850
(3S)-N-ethyl-2,3-difluoro-N-propylcyclohexa-1,5-diene-1-carboxamide
CID 172595559
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
4,5-Dimethyl-1-propyl-2(1H)-pyridinone
CID 13169266
(2E)-N,N-diethyl-6-methylocta-2,4,5-trienamide
CID 92033390
N-(2,7-dimethyl-2,7-octadienyl)-N-methylacetamide
CID 129803101

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide?
The IUPAC name of N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide (CID 143012155) is N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide.
What is the SMILES notation for N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide?
The canonical SMILES for N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide is C/C=C\C=C(/C=C\CC)CN(C)C(C)=O.
What is the InChIKey of N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide?
The InChIKey is XOOVWQAQHDYAOL-XZLBKBBJSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-9-13(10-8-6-2)11-14(4)12(3)15/h5,7-10H,6,11H2,1-4H3/b7-5-,10-8-,13-9+.
What are the key properties of N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide?
N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide has a molecular weight of 207.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-[(Z)-but-1-enyl]hexa-2,4-dienyl]-N-methylacetamide is sourced from PubChem (CID 143012155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).