prop-2-enehydrazide;hydrochloride

C3H7ClN2O — CID 71656102

IUPACprop-2-enehydrazide;hydrochloride
SMILESC=CC(=O)NN.Cl
InChIInChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H
InChIKeyRERYAUXONVNXSK-UHFFFAOYSA-N
MW122.56 g/mol
LogP-0.42
Rot. Bonds1

About prop-2-enehydrazide;hydrochloride

prop-2-enehydrazide;hydrochloride (PubChem CID 71656102) has the molecular formula C3H7ClN2O and a molecular weight of 122.56 g/mol. Its IUPAC name is prop-2-enehydrazide;hydrochloride.

Molecular Properties

Compound Nameprop-2-enehydrazide;hydrochloride
PubChem CID71656102
Molecular FormulaC3H7ClN2O
Molecular Weight122.56 g/mol
Exact Mass122.02
IUPAC Nameprop-2-enehydrazide;hydrochloride
SMILESC=CC(=O)NN.Cl
InChIInChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H
InChIKeyRERYAUXONVNXSK-UHFFFAOYSA-N
XLogP-0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.56
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Maleic Hydrazide
CID 21954
Prop-2-enehydrazide
CID 12324868
Maleic Hydrazide D2, Maleic Hydrazide D2, 1,2-Dihydro-3,6-pyridazinedione-4,5-d2, 3,6-Dihydroxypyridazine-4,5-d2, Maleic-d2 acid cyclic hydrazide, Maleic-d2 hydrazide
CID 129318118
Prop-2-enimidic acid--prop-2-enehydrazonic acid (1/1)
CID 44147324
Diacryloylhydrazine
CID 15764298
N-acryloylsemicarbazide
CID 53950173
Azido acrylamide
CID 129864349
3-Acrylamido ammonium chloride
CID 141275202
N'-acetylprop-2-enehydrazide
CID 15120467
Azane;1,2-dihydropyridazine-3,6-dione
CID 13371891
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
Methyl-(prop-2-enoylamino)azanium chloride
CID 19086392

Frequently Asked Questions

What is the IUPAC name of prop-2-enehydrazide;hydrochloride?
The IUPAC name of prop-2-enehydrazide;hydrochloride (CID 71656102) is prop-2-enehydrazide;hydrochloride.
What is the SMILES notation for prop-2-enehydrazide;hydrochloride?
The canonical SMILES for prop-2-enehydrazide;hydrochloride is C=CC(=O)NN.Cl.
What is the InChIKey of prop-2-enehydrazide;hydrochloride?
The InChIKey is RERYAUXONVNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.ClH/c1-2-3(6)5-4;/h2H,1,4H2,(H,5,6);1H.
What are the key properties of prop-2-enehydrazide;hydrochloride?
prop-2-enehydrazide;hydrochloride has a molecular weight of 122.56 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enehydrazide;hydrochloride is sourced from PubChem (CID 71656102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).