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

C8H13NO2 — CID 134865041

IUPAC5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CCC1O
InChIInChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h7,10H,1,3-5H2,2H3
InChIKeyOSBPHXOBYXVIOW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds2

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

5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 134865041) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID134865041
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1C(=O)CCC1O
InChIInChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h7,10H,1,3-5H2,2H3
InChIKeyOSBPHXOBYXVIOW-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 134865041) is 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is OSBPHXOBYXVIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)5-9-7(10)3-4-8(9)11/h7,10H,1,3-5H2,2H3.
What are the key properties of 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 134865041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).