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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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).