2-cyano-3-methylhex-2-enamide

C8H12N2O — CID 54402548

IUPAC2-cyano-3-methylhex-2-enamide
SMILESCCCC(C)=C(C#N)C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-4-6(2)7(5-9)8(10)11/h3-4H2,1-2H3,(H2,10,11)
InChIKeyVOLLEWGBGDWYNM-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.11
Rot. Bonds3

About 2-cyano-3-methylhex-2-enamide

2-cyano-3-methylhex-2-enamide (PubChem CID 54402548) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-cyano-3-methylhex-2-enamide.

Molecular Properties

Compound Name2-cyano-3-methylhex-2-enamide
PubChem CID54402548
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-cyano-3-methylhex-2-enamide
SMILESCCCC(C)=C(C#N)C(N)=O
InChIInChI=1S/C8H12N2O/c1-3-4-6(2)7(5-9)8(10)11/h3-4H2,1-2H3,(H2,10,11)
InChIKeyVOLLEWGBGDWYNM-UHFFFAOYSA-N
XLogP1.11
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.11
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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Related Compounds

2-Cyano-2-cyclohexylidene-acetamide
CID 263654
2-Cyano-2-cycloheptylideneacetamide
CID 5109139
2-Cyano-2-cyclopentylideneacetamide
CID 263642
Diethylmethacrylamide
CID 21954359
2-Cyano-2-cyclooctylideneacetamide
CID 72196542
(Z)-2-Cyano-5-methylhex-2-enamide
CID 133625518
(E)-2-cyano-3-methylhex-2-enamide
CID 20190783
5-Butyl-3-oxo-1,2-thiazole-4-carbonitrile
CID 21510081
2-Cyano-3-ethylpent-2-enamide
CID 21718091
(E)-2,3-dimethylhex-2-enamide
CID 23105423
2-Hexenamide, 2-cyano-5-methyl-
CID 57105000
(Z)-2,3-dimethylhex-2-enamide
CID 87282568

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methylhex-2-enamide?
The IUPAC name of 2-cyano-3-methylhex-2-enamide (CID 54402548) is 2-cyano-3-methylhex-2-enamide.
What is the SMILES notation for 2-cyano-3-methylhex-2-enamide?
The canonical SMILES for 2-cyano-3-methylhex-2-enamide is CCCC(C)=C(C#N)C(N)=O.
What is the InChIKey of 2-cyano-3-methylhex-2-enamide?
The InChIKey is VOLLEWGBGDWYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-6(2)7(5-9)8(10)11/h3-4H2,1-2H3,(H2,10,11).
What are the key properties of 2-cyano-3-methylhex-2-enamide?
2-cyano-3-methylhex-2-enamide has a molecular weight of 152.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methylhex-2-enamide is sourced from PubChem (CID 54402548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).