N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide

C5H6N2O2 — CID 58361834

IUPACN-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide
SMILESN#C/C(=C\O)CNC=O
InChIInChI=1S/C5H6N2O2/c6-1-5(3-8)2-7-4-9/h3-4,8H,2H2,(H,7,9)/b5-3+
InChIKeyYUQJDLIRJVNUKI-HWKANZROSA-N
MW126.11 g/mol
LogP-0.30
Rot. Bonds3

About N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide

N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide (PubChem CID 58361834) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide
PubChem CID58361834
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC NameN-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide
SMILESN#C/C(=C\O)CNC=O
InChIInChI=1S/C5H6N2O2/c6-1-5(3-8)2-7-4-9/h3-4,8H,2H2,(H,7,9)/b5-3+
InChIKeyYUQJDLIRJVNUKI-HWKANZROSA-N
XLogP-0.30
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-(2-hydroxyprop-2-enyl)formamide
CID 87223348
2-formamidoacetic acid
CID 170552381
2-[[2-(3-formamidoprop-1-en-2-ylamino)acetyl]amino]acetyl cyanide
CID 134362981
2-formamidoacetic acid;hydrochloride
CID 174363412
CID 172715081
CID 172715081
(E)-3-cyanopent-3-enoyl chloride
CID 141466251
N-(3-methyl-2-oxobutyl)formamide
CID 64997253
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
[(Z)-4,5-dicyanopent-4-enyl] acetate
CID 101471670
N-[2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]formamide
CID 176864115
N-ethyl-2-formamidoacetamide
CID 14481878

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide?
The IUPAC name of N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide (CID 58361834) is N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide.
What is the SMILES notation for N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide?
The canonical SMILES for N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide is N#C/C(=C\O)CNC=O.
What is the InChIKey of N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide?
The InChIKey is YUQJDLIRJVNUKI-HWKANZROSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-1-5(3-8)2-7-4-9/h3-4,8H,2H2,(H,7,9)/b5-3+.
What are the key properties of N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide?
N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide has a molecular weight of 126.11 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyano-3-hydroxyprop-2-enyl]formamide is sourced from PubChem (CID 58361834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).