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

C9H13NO — CID 90443538

IUPACN-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide
SMILESC=C/C=C\C=C\NC(=O)CC
InChIInChI=1S/C9H13NO/c1-3-5-6-7-8-10-9(11)4-2/h3,5-8H,1,4H2,2H3,(H,10,11)/b6-5-,8-7+
InChIKeySBVIOBVUWIQJCC-IGTJQSIKSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds4

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

N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide (PubChem CID 90443538) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide.

Molecular Properties

Compound NameN-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide
PubChem CID90443538
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide
SMILESC=C/C=C\C=C\NC(=O)CC
InChIInChI=1S/C9H13NO/c1-3-5-6-7-8-10-9(11)4-2/h3,5-8H,1,4H2,2H3,(H,10,11)/b6-5-,8-7+
InChIKeySBVIOBVUWIQJCC-IGTJQSIKSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(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-propenylacetamide
CID 53935447
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)-3-methylbuta-1,3-dienyl]propanamide
CID 55298868
N-[(1E,3E)-5-fluorohexa-1,3,5-trienyl]acetamide
CID 167498199
N-[(1E)-buta-1,3-dienyl]-2,2-dimethylpropanamide
CID 15836326
2-methyl-N-[(E)-prop-1-enyl]propanamide
CID 22922654
N-methyl-7-(methylamino)hepta-2,4,6-trienamide
CID 53756333
N-buta-1,3-dienylacetamide
CID 54002309

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide?
The IUPAC name of N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide (CID 90443538) is N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide.
What is the SMILES notation for N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide?
The canonical SMILES for N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide is C=C/C=C\C=C\NC(=O)CC.
What is the InChIKey of N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide?
The InChIKey is SBVIOBVUWIQJCC-IGTJQSIKSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-6-7-8-10-9(11)4-2/h3,5-8H,1,4H2,2H3,(H,10,11)/b6-5-,8-7+.
What are the key properties of N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide?
N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide has a molecular weight of 151.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-hexa-1,3,5-trienyl]propanamide is sourced from PubChem (CID 90443538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).