2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate

C9H13NO4 — CID 121375125

IUPAC2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)CCC1O
InChIInChI=1S/C9H13NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h2,7,11H,1,3-6H2
InChIKeyJGFJCCOBLGFQLL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate

2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate (PubChem CID 121375125) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
PubChem CID121375125
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(=O)CCC1O
InChIInChI=1S/C9H13NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h2,7,11H,1,3-6H2
InChIKeyJGFJCCOBLGFQLL-UHFFFAOYSA-N
XLogP-0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
4-(3-bromo-2,5-dioxopyrrolidin-1-yl)butyl prop-2-enoate
CID 150599315
2-(2-oxo-1,3-oxazolidin-3-yl)ethyl prop-2-enoate
CID 22728782
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2,4,6-trioxo-3,5-bis(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl 3-prop-2-enoyloxypropanoate
CID 145340040
2-[2,4,6-trioxo-3-[2-(2-prop-2-enoyloxyacetyl)oxyethyl]-5-(2-prop-2-enoyloxyethyl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 20778472
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
2-(2,4-diamino-6-methyl-2H-1,3,5-triazin-1-yl)ethyl prop-2-enoate
CID 141031487
5-hydroxy-1-[2-(trimethylsilylmethyl)buta-2,3-dienyl]pyrrolidin-2-one
CID 11955042
2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate (CID 121375125) is 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(=O)CCC1O.
What is the InChIKey of 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
The InChIKey is JGFJCCOBLGFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-9(13)14-6-5-10-7(11)3-4-8(10)12/h2,7,11H,1,3-6H2.
What are the key properties of 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate?
2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate has a molecular weight of 199.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 121375125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).