(E)-2-cyanobut-2-enamide

C5H6N2O — CID 88621085

IUPAC(E)-2-cyanobut-2-enamide
SMILESC/C=C(\C#N)C(N)=O
InChIInChI=1S/C5H6N2O/c1-2-4(3-6)5(7)8/h2H,1H3,(H2,7,8)/b4-2+
InChIKeySOOVQWISVRVEGT-DUXPYHPUSA-N
MW110.12 g/mol
LogP-0.06
Rot. Bonds1

About (E)-2-cyanobut-2-enamide

(E)-2-cyanobut-2-enamide (PubChem CID 88621085) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is (E)-2-cyanobut-2-enamide.

Molecular Properties

Compound Name(E)-2-cyanobut-2-enamide
PubChem CID88621085
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name(E)-2-cyanobut-2-enamide
SMILESC/C=C(\C#N)C(N)=O
InChIInChI=1S/C5H6N2O/c1-2-4(3-6)5(7)8/h2H,1H3,(H2,7,8)/b4-2+
InChIKeySOOVQWISVRVEGT-DUXPYHPUSA-N
XLogP-0.06
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.06
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-3-hydroxyprop-2-enamide
CID 3286231
(Z)-2-cyano-3-hydroxyprop-2-enamide
CID 45050446
2,3-dicyanoprop-2-enamide
CID 173308718
(E)-2-cyano-3-ethoxyprop-2-enamide
CID 3034578
(Z)-2-cyano-N'-methylbut-2-enimidamide
CID 144543745
2-cyano-4-(dimethylamino)-4-methylpent-2-enamide
CID 142729475
2-cyano-3-propoxyprop-2-enamide
CID 162352552
2-cyanobut-2-enimidamide
CID 123857678
(E)-2-cyano-3-(propan-2-ylcarbamoylamino)prop-2-enamide
CID 6508082
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
3-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 137318970
(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyanobut-2-enamide?
The IUPAC name of (E)-2-cyanobut-2-enamide (CID 88621085) is (E)-2-cyanobut-2-enamide.
What is the SMILES notation for (E)-2-cyanobut-2-enamide?
The canonical SMILES for (E)-2-cyanobut-2-enamide is C/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyanobut-2-enamide?
The InChIKey is SOOVQWISVRVEGT-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-4(3-6)5(7)8/h2H,1H3,(H2,7,8)/b4-2+.
What are the key properties of (E)-2-cyanobut-2-enamide?
(E)-2-cyanobut-2-enamide has a molecular weight of 110.12 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyanobut-2-enamide is sourced from PubChem (CID 88621085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).