N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide

C9H13NO — CID 130312596

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,2H2,1,3H3,(H,10,11)/b6-4-,9-7+
InChIKeyZYNSJRQLTDWMRA-UNQQQNFISA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds3

About N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide (PubChem CID 130312596) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
PubChem CID130312596
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide
SMILESC=C/C(=C\C=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,2H2,1,3H3,(H,10,11)/b6-4-,9-7+
InChIKeyZYNSJRQLTDWMRA-UNQQQNFISA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.77
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

(3E,5Z)-N-[(2E)-penta-2,4-dien-2-yl]hepta-1,3,5-trien-3-amine
CID 143745515
(3E)-3-ethylidene-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylhexa-1,4-dien-2-amine
CID 143052438
N-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-yl]acetamide
CID 122661471
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
CID 142262030
(3E,5Z)-N-but-3-en-2-ylhepta-1,3,5-trien-3-amine
CID 126490180
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]formamide;3-methoxypropanoic acid
CID 143489553
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(3E,5Z)-hepta-1,3,5-triene-3-sulfonic acid
CID 142823719
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
CID 166970905

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide (CID 130312596) is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide is C=C/C(=C\C=C/C)NC(C)=O.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide?
The InChIKey is ZYNSJRQLTDWMRA-UNQQQNFISA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-7-9(5-2)10-8(3)11/h4-7H,2H2,1,3H3,(H,10,11)/b6-4-,9-7+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide?
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide has a molecular weight of 151.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]acetamide is sourced from PubChem (CID 130312596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).