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

C9H15NO — CID 126660900

IUPACN-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide
SMILESC/C=C\C=C(/CC)NC(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-7-9(5-2)10-8(3)11/h4,6-7H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+
InChIKeyHUQDXUOFMJFPOX-UNQQQNFISA-N
MW153.22 g/mol
LogP1.99
Rot. Bonds3

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

N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide (PubChem CID 126660900) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide
PubChem CID126660900
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide
SMILESC/C=C\C=C(/CC)NC(C)=O
InChIInChI=1S/C9H15NO/c1-4-6-7-9(5-2)10-8(3)11/h4,6-7H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+
InChIKeyHUQDXUOFMJFPOX-UNQQQNFISA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide?
The IUPAC name of N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide (CID 126660900) is N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide?
The canonical SMILES for N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide is C/C=C\C=C(/CC)NC(C)=O.
What is the InChIKey of N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide?
The InChIKey is HUQDXUOFMJFPOX-UNQQQNFISA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-7-9(5-2)10-8(3)11/h4,6-7H,5H2,1-3H3,(H,10,11)/b6-4-,9-7+.
What are the key properties of N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide?
N-[(3E,5Z)-hepta-3,5-dien-3-yl]acetamide has a molecular weight of 153.22 g/mol, XLogP of 1.99, 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-3,5-dien-3-yl]acetamide is sourced from PubChem (CID 126660900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).