2-cyano-3-hydroxyprop-2-enamide

C4H4N2O2 — CID 3286231

IUPAC2-cyano-3-hydroxyprop-2-enamide
SMILESN#CC(=CO)C(N)=O
InChIInChI=1S/C4H4N2O2/c5-1-3(2-7)4(6)8/h2,7H,(H2,6,8)
InChIKeyGOHUWTBTRCXSIW-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.56
Rot. Bonds1

About 2-cyano-3-hydroxyprop-2-enamide

2-cyano-3-hydroxyprop-2-enamide (PubChem CID 3286231) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 2-cyano-3-hydroxyprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-hydroxyprop-2-enamide
PubChem CID3286231
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name2-cyano-3-hydroxyprop-2-enamide
SMILESN#CC(=CO)C(N)=O
InChIInChI=1S/C4H4N2O2/c5-1-3(2-7)4(6)8/h2,7H,(H2,6,8)
InChIKeyGOHUWTBTRCXSIW-UHFFFAOYSA-N
XLogP-0.56
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-hydroxyprop-2-enamide
CID 45050446
(E)-2-cyanobut-2-enamide
CID 88621085
2,3-dicyanoprop-2-enamide
CID 173308718
(E)-2-cyano-3-hydroxyprop-2-enoic acid
CID 59895711
prop-2-enyl 2-cyano-3-hydroxyprop-2-enoate
CID 87972102
(E)-2-cyano-3-ethoxyprop-2-enamide
CID 3034578
2-cyano-4-(dimethylamino)-4-methylpent-2-enamide
CID 142729475
(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
2-cyano-3-propoxyprop-2-enamide
CID 162352552
ethyl N-[(Z)-2-cyano-3-hydroxyprop-2-enoyl]carbamate
CID 143550821
(E)-2-cyano-3-(propan-2-ylcarbamoylamino)prop-2-enamide
CID 6508082
(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 57390634

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-hydroxyprop-2-enamide?
The IUPAC name of 2-cyano-3-hydroxyprop-2-enamide (CID 3286231) is 2-cyano-3-hydroxyprop-2-enamide.
What is the SMILES notation for 2-cyano-3-hydroxyprop-2-enamide?
The canonical SMILES for 2-cyano-3-hydroxyprop-2-enamide is N#CC(=CO)C(N)=O.
What is the InChIKey of 2-cyano-3-hydroxyprop-2-enamide?
The InChIKey is GOHUWTBTRCXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-1-3(2-7)4(6)8/h2,7H,(H2,6,8).
What are the key properties of 2-cyano-3-hydroxyprop-2-enamide?
2-cyano-3-hydroxyprop-2-enamide has a molecular weight of 112.09 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-hydroxyprop-2-enamide is sourced from PubChem (CID 3286231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).