2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide

C10H12N2O — CID 142264688

IUPAC2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)CNC(=O)CC#N
InChIInChI=1S/C10H12N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h3-5H,1-2,6,8H2,(H,12,13)/b9-5+
InChIKeyUYNHLVLACCKQBI-WEVVVXLNSA-N
MW176.22 g/mol
LogP1.31
Rot. Bonds5

About 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide

2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide (PubChem CID 142264688) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
PubChem CID142264688
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)CNC(=O)CC#N
InChIInChI=1S/C10H12N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h3-5H,1-2,6,8H2,(H,12,13)/b9-5+
InChIKeyUYNHLVLACCKQBI-WEVVVXLNSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The IUPAC name of 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide (CID 142264688) is 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The canonical SMILES for 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide is C=C/C=C(\C=C)CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The InChIKey is UYNHLVLACCKQBI-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h3-5H,1-2,6,8H2,(H,12,13)/b9-5+.
What are the key properties of 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide is sourced from PubChem (CID 142264688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).