2-formylprop-2-enehydrazide

C4H6N2O2 — CID 22179166

IUPAC2-formylprop-2-enehydrazide
SMILESC=C(C=O)C(=O)NN
InChIInChI=1S/C4H6N2O2/c1-3(2-7)4(8)6-5/h2H,1,5H2,(H,6,8)
InChIKeyFNUMQBGOYYNUPL-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.27
Rot. Bonds2

About 2-formylprop-2-enehydrazide

2-formylprop-2-enehydrazide (PubChem CID 22179166) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-formylprop-2-enehydrazide.

Molecular Properties

Compound Name2-formylprop-2-enehydrazide
PubChem CID22179166
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-formylprop-2-enehydrazide
SMILESC=C(C=O)C(=O)NN
InChIInChI=1S/C4H6N2O2/c1-3(2-7)4(8)6-5/h2H,1,5H2,(H,6,8)
InChIKeyFNUMQBGOYYNUPL-UHFFFAOYSA-N
XLogP-1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyanoprop-2-enehydrazide
CID 87129507
(3Z,5E)-5-hydroxy-2-methylidene-4-propan-2-ylhepta-3,5-dienehydrazide
CID 143661407
formohydrazide;2-methylprop-2-enoic acid
CID 174754589
ethyl 2-(hydrazinecarbonyl)prop-2-enoate
CID 87480651
N,N'-diamino-2-oxoethanimidamide
CID 145012716
2-sulfanylidenepropanehydrazide
CID 175361309
(E)-2,3-dicyanobut-2-enedihydrazide
CID 87559469
3-formyl-2-methylidenebut-3-enenitrile
CID 174326987
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
CID 162361441
ethyl (3Z)-5-hydrazinyl-2-methylidenehexa-3,5-dienoate
CID 143114007
1,3-diaminourea;phosphane
CID 159962214

Frequently Asked Questions

What is the IUPAC name of 2-formylprop-2-enehydrazide?
The IUPAC name of 2-formylprop-2-enehydrazide (CID 22179166) is 2-formylprop-2-enehydrazide.
What is the SMILES notation for 2-formylprop-2-enehydrazide?
The canonical SMILES for 2-formylprop-2-enehydrazide is C=C(C=O)C(=O)NN.
What is the InChIKey of 2-formylprop-2-enehydrazide?
The InChIKey is FNUMQBGOYYNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3(2-7)4(8)6-5/h2H,1,5H2,(H,6,8).
What are the key properties of 2-formylprop-2-enehydrazide?
2-formylprop-2-enehydrazide has a molecular weight of 114.10 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylprop-2-enehydrazide is sourced from PubChem (CID 22179166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).