2-ethenyloxirane-2-carboxylic acid

C5H6O3 — CID 175491624

IUPAC2-ethenyloxirane-2-carboxylic acid
SMILESC=CC1(C(=O)O)CO1
InChIInChI=1S/C5H6O3/c1-2-5(3-8-5)4(6)7/h2H,1,3H2,(H,6,7)
InChIKeyVZXDEOSABFGNGW-UHFFFAOYSA-N
MW114.10 g/mol
LogP0.03
Rot. Bonds2

About 2-ethenyloxirane-2-carboxylic acid

2-ethenyloxirane-2-carboxylic acid (PubChem CID 175491624) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-ethenyloxirane-2-carboxylic acid.

Molecular Properties

Compound Name2-ethenyloxirane-2-carboxylic acid
PubChem CID175491624
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2-ethenyloxirane-2-carboxylic acid
SMILESC=CC1(C(=O)O)CO1
InChIInChI=1S/C5H6O3/c1-2-5(3-8-5)4(6)7/h2H,1,3H2,(H,6,7)
InChIKeyVZXDEOSABFGNGW-UHFFFAOYSA-N
XLogP0.03
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-formyloxane-2-carboxylic acid
CID 141434966
[(2S)-2-ethenyloxiran-2-yl]methanol
CID 131089361
4-amino-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CID 138991430
benzyl 2-ethenyl-5-ethyl-5-methyl-1,4-dioxane-2-carboxylate
CID 134235170
2-formyl-3,4-dihydropyran-2-carboxylic acid
CID 18955221
4-ethenyl-4-methyl-1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 143093730
(2S)-2-ethenyl-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102589964
2-[(2S)-2-prop-2-enoxyoxiran-2-yl]ethylcarbamic acid
CID 87757634
acetic acid;ethenyl(trimethyl)silane
CID 172748830
2-(3-ethenyloxolan-3-yl)acetic acid
CID 165456918
3-(2-formyloxiran-2-yl)-2-methylprop-2-enoic acid
CID 54180047
2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
CID 66981661

Frequently Asked Questions

What is the IUPAC name of 2-ethenyloxirane-2-carboxylic acid?
The IUPAC name of 2-ethenyloxirane-2-carboxylic acid (CID 175491624) is 2-ethenyloxirane-2-carboxylic acid.
What is the SMILES notation for 2-ethenyloxirane-2-carboxylic acid?
The canonical SMILES for 2-ethenyloxirane-2-carboxylic acid is C=CC1(C(=O)O)CO1.
What is the InChIKey of 2-ethenyloxirane-2-carboxylic acid?
The InChIKey is VZXDEOSABFGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-2-5(3-8-5)4(6)7/h2H,1,3H2,(H,6,7).
What are the key properties of 2-ethenyloxirane-2-carboxylic acid?
2-ethenyloxirane-2-carboxylic acid has a molecular weight of 114.10 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxirane-2-carboxylic acid is sourced from PubChem (CID 175491624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).