2-hydroxyprop-2-enyl(oxido)azanium

C3H7NO2 — CID 173447123

IUPAC2-hydroxyprop-2-enyl(oxido)azanium
SMILESC=C(O)C[NH2+][O-]
InChIInChI=1S/C3H7NO2/c1-3(5)2-4-6/h5H,1-2,4H2
InChIKeyZUHFWFAVUDRRIK-UHFFFAOYSA-N
MW89.09 g/mol
LogP-0.88
Rot. Bonds2

About 2-hydroxyprop-2-enyl(oxido)azanium

2-hydroxyprop-2-enyl(oxido)azanium (PubChem CID 173447123) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl(oxido)azanium.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl(oxido)azanium
PubChem CID173447123
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name2-hydroxyprop-2-enyl(oxido)azanium
SMILESC=C(O)C[NH2+][O-]
InChIInChI=1S/C3H7NO2/c1-3(5)2-4-6/h5H,1-2,4H2
InChIKeyZUHFWFAVUDRRIK-UHFFFAOYSA-N
XLogP-0.88
TPSA59.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-sulfanylprop-1-en-2-ol
CID 88524580
3-bromoprop-1-en-2-ol
CID 12610769
3-phosphanylprop-1-en-2-ol
CID 173235638
3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol
CID 19101885
ethane-1,2-diol;prop-1-en-2-ol
CID 87135468
ethene;hydrogen peroxide
CID 172739502
propanoic acid;prop-1-en-2-olate
CID 172732515
2-(2-aminoprop-2-enyl)propanedioic acid
CID 87757863
sodium 3-hydroxy-3-oxoprop-1-en-2-olate
CID 23681187
5,5-dihydroxy-2-methylidenepent-4-enoic acid
CID 87724268
lithium;ethanolate;niobium(5+)
CID 14693679
benzene;bis(2-methylpent-1-en-3-one)
CID 160638485

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl(oxido)azanium?
The IUPAC name of 2-hydroxyprop-2-enyl(oxido)azanium (CID 173447123) is 2-hydroxyprop-2-enyl(oxido)azanium.
What is the SMILES notation for 2-hydroxyprop-2-enyl(oxido)azanium?
The canonical SMILES for 2-hydroxyprop-2-enyl(oxido)azanium is C=C(O)C[NH2+][O-].
What is the InChIKey of 2-hydroxyprop-2-enyl(oxido)azanium?
The InChIKey is ZUHFWFAVUDRRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2/c1-3(5)2-4-6/h5H,1-2,4H2.
What are the key properties of 2-hydroxyprop-2-enyl(oxido)azanium?
2-hydroxyprop-2-enyl(oxido)azanium has a molecular weight of 89.09 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl(oxido)azanium is sourced from PubChem (CID 173447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).