(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide

C9H13N3O — CID 5374643

IUPAC(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide
SMILESCC(/C=C\N(C)C)=C(\C#N)C(N)=O
InChIInChI=1S/C9H13N3O/c1-7(4-5-12(2)3)8(6-10)9(11)13/h4-5H,1-3H3,(H2,11,13)/b5-4-,8-7-
InChIKeyBQVXCXDDOBSDQZ-UTOQUPLUSA-N
MW179.22 g/mol
LogP0.39
Rot. Bonds3

About (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide

(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide (PubChem CID 5374643) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide
PubChem CID5374643
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide
SMILESCC(/C=C\N(C)C)=C(\C#N)C(N)=O
InChIInChI=1S/C9H13N3O/c1-7(4-5-12(2)3)8(6-10)9(11)13/h4-5H,1-3H3,(H2,11,13)/b5-4-,8-7-
InChIKeyBQVXCXDDOBSDQZ-UTOQUPLUSA-N
XLogP0.39
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide (CID 5374643) is (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide is CC(/C=C\N(C)C)=C(\C#N)C(N)=O.
What is the InChIKey of (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
The InChIKey is BQVXCXDDOBSDQZ-UTOQUPLUSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(4-5-12(2)3)8(6-10)9(11)13/h4-5H,1-3H3,(H2,11,13)/b5-4-,8-7-.
What are the key properties of (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide?
(2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide has a molecular weight of 179.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienamide is sourced from PubChem (CID 5374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).