(2Z)-4-cyano-2-methylpenta-2,4-dienamide

C7H8N2O — CID 139673810

IUPAC(2Z)-4-cyano-2-methylpenta-2,4-dienamide
SMILESC=C(C#N)/C=C(/C)C(N)=O
InChIInChI=1S/C7H8N2O/c1-5(4-8)3-6(2)7(9)10/h3H,1H2,2H3,(H2,9,10)/b6-3-
InChIKeySLOGSBFOGXTPQW-UTCJRWHESA-N
MW136.15 g/mol
LogP0.50
Rot. Bonds2

About (2Z)-4-cyano-2-methylpenta-2,4-dienamide

(2Z)-4-cyano-2-methylpenta-2,4-dienamide (PubChem CID 139673810) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (2Z)-4-cyano-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-4-cyano-2-methylpenta-2,4-dienamide
PubChem CID139673810
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(2Z)-4-cyano-2-methylpenta-2,4-dienamide
SMILESC=C(C#N)/C=C(/C)C(N)=O
InChIInChI=1S/C7H8N2O/c1-5(4-8)3-6(2)7(9)10/h3H,1H2,2H3,(H2,9,10)/b6-3-
InChIKeySLOGSBFOGXTPQW-UTCJRWHESA-N
XLogP0.50
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-cyano-2-methylpenta-2,4-dienamide?
The IUPAC name of (2Z)-4-cyano-2-methylpenta-2,4-dienamide (CID 139673810) is (2Z)-4-cyano-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-4-cyano-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-4-cyano-2-methylpenta-2,4-dienamide is C=C(C#N)/C=C(/C)C(N)=O.
What is the InChIKey of (2Z)-4-cyano-2-methylpenta-2,4-dienamide?
The InChIKey is SLOGSBFOGXTPQW-UTCJRWHESA-N. The full InChI is InChI=1S/C7H8N2O/c1-5(4-8)3-6(2)7(9)10/h3H,1H2,2H3,(H2,9,10)/b6-3-.
What are the key properties of (2Z)-4-cyano-2-methylpenta-2,4-dienamide?
(2Z)-4-cyano-2-methylpenta-2,4-dienamide has a molecular weight of 136.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-cyano-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 139673810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).