5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one

C8H11NO3 — CID 58165513

IUPAC5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)CCC1O
InChIInChI=1S/C8H11NO3/c1-5(2)8(12)9-6(10)3-4-7(9)11/h6,10H,1,3-4H2,2H3
InChIKeyHZEXULNHPBQPFY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.03
Rot. Bonds1

About 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one

5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one (PubChem CID 58165513) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one
PubChem CID58165513
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)CCC1O
InChIInChI=1S/C8H11NO3/c1-5(2)8(12)9-6(10)3-4-7(9)11/h6,10H,1,3-4H2,2H3
InChIKeyHZEXULNHPBQPFY-UHFFFAOYSA-N
XLogP0.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one
CID 58165448
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one
CID 58165399
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880
CID 89146118
CID 89146118
1-(2-ethynyl-5-oxopyrrolidin-1-yl)ethenyl acetate
CID 15629524
5-hydroxy-1-pentylpyrrolidin-2-one
CID 14686205
1-(3-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972
(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
CID 146560988
9-(2-methylprop-2-enoyl)-9-azabicyclo[6.2.0]decan-10-one;6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one;8-(2-methylprop-2-enoyl)-8-azabicyclo[5.2.0]nonan-9-one;7-(2-methylprop-2-enoyl)-7-azabicyclo[4.2.0]octan-8-one;9-prop-2-enoyl-9-azabicyclo[6.2.0]decan-10-one;6-prop-2-enoyl-6-azabicyclo[3.2.0]heptan-7-one;8-prop-2-enoyl-8-azabicyclo[5.2.0]nonan-9-one;7-prop-2-enoyl-7-azabicyclo[4.2.0]octan-8-one
CID 159613285

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one (CID 58165513) is 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one is C=C(C)C(=O)N1C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one?
The InChIKey is HZEXULNHPBQPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5(2)8(12)9-6(10)3-4-7(9)11/h6,10H,1,3-4H2,2H3.
What are the key properties of 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one?
5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one is sourced from PubChem (CID 58165513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).