1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione

C12H11NO3 — CID 61207713

IUPAC1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(CO)c2)C1=O
InChIInChI=1S/C12H11NO3/c1-8-5-11(15)13(12(8)16)10-4-2-3-9(6-10)7-14/h2-6,14H,7H2,1H3
InChIKeyCKLJTPWSKORIPZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.00
Rot. Bonds2

About 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione

1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione (PubChem CID 61207713) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
PubChem CID61207713
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(CO)c2)C1=O
InChIInChI=1S/C12H11NO3/c1-8-5-11(15)13(12(8)16)10-4-2-3-9(6-10)7-14/h2-6,14H,7H2,1H3
InChIKeyCKLJTPWSKORIPZ-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
CID 113224926
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884501
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
CID 61328558
1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
CID 59193557
1-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylpyrrole-2,5-dione
CID 63312082
3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
CID 56988423
1-(1,3-dioxo-2-benzofuran-5-yl)-3-methylpyrrole-2,5-dione
CID 88791034
3-[3-(hydroxymethyl)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552285
4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
CID 54724201
4-(3-methyl-2,5-dioxopyrrol-1-yl)benzene-1,2-dicarbonitrile
CID 114001948

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione (CID 61207713) is 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2cccc(CO)c2)C1=O.
What is the InChIKey of 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is CKLJTPWSKORIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-5-11(15)13(12(8)16)10-4-2-3-9(6-10)7-14/h2-6,14H,7H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione?
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61207713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).