N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide

C8H11NO — CID 139637655

IUPACN-[(1E,3E)-hexa-1,3,5-trienyl]acetamide
SMILESC=C/C=C/C=C/NC(C)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h3-7H,1H2,2H3,(H,9,10)/b5-4+,7-6+
InChIKeyZOFLTAHVCQMPKC-YTXTXJHMSA-N
MW137.18 g/mol
LogP1.38
Rot. Bonds3

About N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide

N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide (PubChem CID 139637655) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-hexa-1,3,5-trienyl]acetamide
PubChem CID139637655
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-[(1E,3E)-hexa-1,3,5-trienyl]acetamide
SMILESC=C/C=C/C=C/NC(C)=O
InChIInChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h3-7H,1H2,2H3,(H,9,10)/b5-4+,7-6+
InChIKeyZOFLTAHVCQMPKC-YTXTXJHMSA-N
XLogP1.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.38
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

(Z)-N-(prop-1-en-1-yl)acetamide
CID 5325885
(E)-N-(prop-1-en-1-yl)acetamide
CID 11804682
N-[(1E)-buta-1,3-dienyl]acetamide
CID 15836325
N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
CID 11499230
N-propenylacetamide
CID 53935447
Butenyl acetamide
CID 54266102
Azecinone
CID 129654418
N-[(1E)-2-fluorobuta-1,3-dienyl]acetamide
CID 117646394
N-[(1Z,3E,5Z)-2,4-difluorohepta-1,3,5-trienyl]acetamide
CID 141975471
N-[(1Z)-buta-1,3-dienyl]acetamide
CID 15836324
N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
CID 167498199
N-[(1Z,5E)-hepta-1,5-dienyl]acetamide
CID 10329468

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide?
The IUPAC name of N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide (CID 139637655) is N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide is C=C/C=C/C=C/NC(C)=O.
What is the InChIKey of N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide?
The InChIKey is ZOFLTAHVCQMPKC-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-4-5-6-7-9-8(2)10/h3-7H,1H2,2H3,(H,9,10)/b5-4+,7-6+.
What are the key properties of N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide?
N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide has a molecular weight of 137.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-hexa-1,3,5-trienyl]acetamide is sourced from PubChem (CID 139637655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).