3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one

C5H7NO2 — CID 54693708

IUPAC3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(O)CNC1=O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-6-5(3)8/h7H,2H2,1H3,(H,6,8)
InChIKeyRPFGDAVXGKFDMT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds

About 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one

3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one (PubChem CID 54693708) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
PubChem CID54693708
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(O)CNC1=O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-6-5(3)8/h7H,2H2,1H3,(H,6,8)
InChIKeyRPFGDAVXGKFDMT-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolin-2-one, 4-hydroxy-3-methyl-, ammonium salt
CID 3060821
1-ethyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219087
4-Hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 54718169
4-Hydroxy-5-oxo-1,2-dihydropyrrole-3-carboxamide
CID 56604062
3,4-Dihydroxy-1,2-dihydropyrrol-5-one
CID 56604131
3-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
CID 57914793
CID 58610501
CID 58610501
(E)-3-hydroxy-N,2-dimethylbut-2-enamide
CID 59909362
(Z)-3-hydroxy-N-(2-hydroxyethyl)-2-methylbut-2-enamide
CID 60036515
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208
N-(2-hydroxy-2-methylpropyl)-2,3-dimethylbut-2-enamide
CID 123557591
Formaldehyde;3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
CID 141789422

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one (CID 54693708) is 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one is CC1=C(O)CNC1=O.
What is the InChIKey of 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is RPFGDAVXGKFDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4(7)2-6-5(3)8/h7H,2H2,1H3,(H,6,8).
What are the key properties of 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one?
3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 54693708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).