2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate

C8H10O4 — CID 14025014

IUPAC2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate
SMILESO=C1C=CC(C(=O)OCCO)C1
InChIInChI=1S/C8H10O4/c9-3-4-12-8(11)6-1-2-7(10)5-6/h1-2,6,9H,3-5H2
InChIKeyWUHIXCNTMUYBSO-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.33
Rot. Bonds3

About 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate

2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate (PubChem CID 14025014) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate
PubChem CID14025014
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate
SMILESO=C1C=CC(C(=O)OCCO)C1
InChIInChI=1S/C8H10O4/c9-3-4-12-8(11)6-1-2-7(10)5-6/h1-2,6,9H,3-5H2
InChIKeyWUHIXCNTMUYBSO-UHFFFAOYSA-N
XLogP-0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetylcyclopent-2-en-1-one
CID 16753251
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
tetrakis(2-hydroxyethyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 66984791
2-hydroxyethyl (3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 97185349
(1S,4R)-3-(2-hydroxyethoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11345148
triethyl (4S)-cyclohexa-1,5-diene-1,2,4-tricarboxylate
CID 121367126
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
5-[2-[5-(2-hydroxyethoxycarbonyl)oxolane-2-carbonyl]oxyethoxycarbonyl]oxolane-2-carboxylic acid
CID 155790014
2-hydroxyethyl 3-ethylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68584016
2-hydroxyethyl cyclopropene-1-carboxylate
CID 141164659
2-O-tert-butyl 1-O-(2-hydroxyethyl) cyclohexane-1,2-dicarboxylate
CID 66983618
2-hydroxyethyl (2S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 71195761

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate (CID 14025014) is 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate is O=C1C=CC(C(=O)OCCO)C1.
What is the InChIKey of 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate?
The InChIKey is WUHIXCNTMUYBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-3-4-12-8(11)6-1-2-7(10)5-6/h1-2,6,9H,3-5H2.
What are the key properties of 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate?
2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate has a molecular weight of 170.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 14025014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).