3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one

C8H13NO2 — CID 139219088

IUPAC3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=C(O)CN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2/c1-5(2)9-4-7(10)6(3)8(9)11/h5,10H,4H2,1-3H3
InChIKeyCJEQMNHHQBXQIM-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.07
Rot. Bonds1

About 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one

3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 139219088) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID139219088
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
SMILESCC1=C(O)CN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2/c1-5(2)9-4-7(10)6(3)8(9)11/h5,10H,4H2,1-3H3
InChIKeyCJEQMNHHQBXQIM-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-oxo-1-propyl-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 54697632
1-Isopropyl-3,4-dimethyl-1H-pyrrol-2(5H)-one
CID 12294826
1-tert-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 101562025
1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219087
4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 139219089
1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219091
4-Hydroxy-3-methyl-1-(2-methylpropyl)-5-sulfanylidenepyrrol-2-one
CID 57549025
3-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
CID 57914793
3,4-Dimethyl-1-propan-2-ylpyrrole-2,5-dione
CID 59860440
3-Hydroxy-4-methyl-1-pentylpyrrole-2,5-dione
CID 67068209
4-hydroxy-1,2,3-trimethyl-2H-pyrrol-5-one
CID 89712902
4-Hydroxy-1,3,5,5-tetramethylpyrrol-2-one
CID 90349418

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one (CID 139219088) is 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one is CC1=C(O)CN(C(C)C)C1=O.
What is the InChIKey of 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is CJEQMNHHQBXQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)9-4-7(10)6(3)8(9)11/h5,10H,4H2,1-3H3.
What are the key properties of 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one?
3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 139219088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).