N-[(1Z,5E)-hepta-1,5-dienyl]acetamide

C9H15NO — CID 10329468

IUPACN-[(1Z,5E)-hepta-1,5-dienyl]acetamide
SMILESC/C=C/CC/C=C\NC(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-7-8-10-9(2)11/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+,8-7-
InChIKeyHUPLVINZYHGDBF-UTUPVWNLSA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds4

About N-[(1Z,5E)-hepta-1,5-dienyl]acetamide

N-[(1Z,5E)-hepta-1,5-dienyl]acetamide (PubChem CID 10329468) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(1Z,5E)-hepta-1,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1Z,5E)-hepta-1,5-dienyl]acetamide
PubChem CID10329468
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(1Z,5E)-hepta-1,5-dienyl]acetamide
SMILESC/C=C/CC/C=C\NC(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-5-6-7-8-10-9(2)11/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+,8-7-
InChIKeyHUPLVINZYHGDBF-UTUPVWNLSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
CID 11499230
N-[(E)-hex-1-enyl]acetamide
CID 55288374
N-[(1E,3E)-2-ethylhexa-1,3-dienyl]acetamide
CID 101347648
Butenyl acetamide
CID 54266102
N-(1E-pentenyl)-2Z,4Z-heptadienamide
CID 5471986
(E)-N-ethenylhex-4-enamide
CID 13571246
N-[(2E,6Z)-nona-2,6-dienyl]acetamide
CID 11579226
N-[(2Z,6Z)-nona-2,6-dienyl]acetamide
CID 11636929
N-[(E)-3-methylbut-1-enyl]acetamide
CID 12626390
N-[(E)-hept-1-enyl]acetamide
CID 23201916
N-[(E)-but-1-enyl]acetamide
CID 23385913
N-[(1Z)-1-octenyl]acetamide
CID 24972369

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,5E)-hepta-1,5-dienyl]acetamide?
The IUPAC name of N-[(1Z,5E)-hepta-1,5-dienyl]acetamide (CID 10329468) is N-[(1Z,5E)-hepta-1,5-dienyl]acetamide.
What is the SMILES notation for N-[(1Z,5E)-hepta-1,5-dienyl]acetamide?
The canonical SMILES for N-[(1Z,5E)-hepta-1,5-dienyl]acetamide is C/C=C/CC/C=C\NC(C)=O.
What is the InChIKey of N-[(1Z,5E)-hepta-1,5-dienyl]acetamide?
The InChIKey is HUPLVINZYHGDBF-UTUPVWNLSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-7-8-10-9(2)11/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+,8-7-.
What are the key properties of N-[(1Z,5E)-hepta-1,5-dienyl]acetamide?
N-[(1Z,5E)-hepta-1,5-dienyl]acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,5E)-hepta-1,5-dienyl]acetamide is sourced from PubChem (CID 10329468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).