2-cyano-4-(dimethylamino)-4-methylpent-2-enamide

C9H15N3O — CID 142729475

IUPAC2-cyano-4-(dimethylamino)-4-methylpent-2-enamide
SMILESCN(C)C(C)(C)C=C(C#N)C(N)=O
InChIInChI=1S/C9H15N3O/c1-9(2,12(3)4)5-7(6-10)8(11)13/h5H,1-4H3,(H2,11,13)
InChIKeyLTVSRKUELVZIGG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds3

About 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide

2-cyano-4-(dimethylamino)-4-methylpent-2-enamide (PubChem CID 142729475) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide.

Molecular Properties

Compound Name2-cyano-4-(dimethylamino)-4-methylpent-2-enamide
PubChem CID142729475
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-cyano-4-(dimethylamino)-4-methylpent-2-enamide
SMILESCN(C)C(C)(C)C=C(C#N)C(N)=O
InChIInChI=1S/C9H15N3O/c1-9(2,12(3)4)5-7(6-10)8(11)13/h5H,1-4H3,(H2,11,13)
InChIKeyLTVSRKUELVZIGG-UHFFFAOYSA-N
XLogP0.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide?
The IUPAC name of 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide (CID 142729475) is 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide.
What is the SMILES notation for 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide?
The canonical SMILES for 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide is CN(C)C(C)(C)C=C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide?
The InChIKey is LTVSRKUELVZIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,12(3)4)5-7(6-10)8(11)13/h5H,1-4H3,(H2,11,13).
What are the key properties of 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide?
2-cyano-4-(dimethylamino)-4-methylpent-2-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-(dimethylamino)-4-methylpent-2-enamide is sourced from PubChem (CID 142729475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).