N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide

C9H13NO — CID 89000434

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C=C(\C=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-9(7-5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-5-,9-6+
InChIKeyJMMUKYPVSPTRAQ-XCZNYUDNSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds3

About N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide

N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide (PubChem CID 89000434) 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-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
PubChem CID89000434
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C=C(\C=C/C)NC(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-9(7-5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-5-,9-6+
InChIKeyJMMUKYPVSPTRAQ-XCZNYUDNSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide (CID 89000434) is N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-4-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-4-yl]acetamide?
The InChIKey is JMMUKYPVSPTRAQ-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-9(7-5-2)10-8(3)11/h4-7H,1H2,2-3H3,(H,10,11)/b7-5-,9-6+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
N-[(3E,5Z)-hepta-1,3,5-trien-4-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-4-yl]acetamide is sourced from PubChem (CID 89000434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).