2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one

C8H11NO2 — CID 10942654

IUPAC2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C)=CC1O
InChIInChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5,7,10H,1,4H2,2H3
InChIKeyVGLQPPMNCCOMHQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.28
Rot. Bonds2

About 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one

2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 10942654) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID10942654
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1C(=O)C(C)=CC1O
InChIInChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5,7,10H,1,4H2,2H3
InChIKeyVGLQPPMNCCOMHQ-UHFFFAOYSA-N
XLogP0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.28
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 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one (CID 10942654) is 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1C(=O)C(C)=CC1O.
What is the InChIKey of 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is VGLQPPMNCCOMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3,5,7,10H,1,4H2,2H3.
What are the key properties of 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one?
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 10942654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).