(E)-2-cyano-N,4-dimethylpent-2-enamide

C8H12N2O — CID 90151615

IUPAC(E)-2-cyano-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C(C#N)=C/C(C)C
InChIInChI=1S/C8H12N2O/c1-6(2)4-7(5-9)8(11)10-3/h4,6H,1-3H3,(H,10,11)/b7-4+
InChIKeyALUQPGQGXJRMQZ-QPJJXVBHSA-N
MW152.20 g/mol
LogP0.84
Rot. Bonds2

About (E)-2-cyano-N,4-dimethylpent-2-enamide

(E)-2-cyano-N,4-dimethylpent-2-enamide (PubChem CID 90151615) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (E)-2-cyano-N,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N,4-dimethylpent-2-enamide
PubChem CID90151615
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(E)-2-cyano-N,4-dimethylpent-2-enamide
SMILESCNC(=O)/C(C#N)=C/C(C)C
InChIInChI=1S/C8H12N2O/c1-6(2)4-7(5-9)8(11)10-3/h4,6H,1-3H3,(H,10,11)/b7-4+
InChIKeyALUQPGQGXJRMQZ-QPJJXVBHSA-N
XLogP0.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.84
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N,4-dimethylpent-2-enamide?
The IUPAC name of (E)-2-cyano-N,4-dimethylpent-2-enamide (CID 90151615) is (E)-2-cyano-N,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-2-cyano-N,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-2-cyano-N,4-dimethylpent-2-enamide is CNC(=O)/C(C#N)=C/C(C)C.
What is the InChIKey of (E)-2-cyano-N,4-dimethylpent-2-enamide?
The InChIKey is ALUQPGQGXJRMQZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)4-7(5-9)8(11)10-3/h4,6H,1-3H3,(H,10,11)/b7-4+.
What are the key properties of (E)-2-cyano-N,4-dimethylpent-2-enamide?
(E)-2-cyano-N,4-dimethylpent-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N,4-dimethylpent-2-enamide is sourced from PubChem (CID 90151615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).