2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione

C10H11NO3 — CID 163853528

IUPAC2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione
SMILESCC1C=CCC2=C1C(=O)N(CO)C2=O
InChIInChI=1S/C10H11NO3/c1-6-3-2-4-7-8(6)10(14)11(5-12)9(7)13/h2-3,6,12H,4-5H2,1H3
InChIKeyOWJPIYOSRKOVPY-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.20
Rot. Bonds1

About 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione

2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione (PubChem CID 163853528) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione
PubChem CID163853528
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione
SMILESCC1C=CCC2=C1C(=O)N(CO)C2=O
InChIInChI=1S/C10H11NO3/c1-6-3-2-4-7-8(6)10(14)11(5-12)9(7)13/h2-3,6,12H,4-5H2,1H3
InChIKeyOWJPIYOSRKOVPY-UHFFFAOYSA-N
XLogP0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-4-methyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 163768279
2-methylbicyclo[4.2.0]octa-1(6),3-diene-7,8-dione
CID 15110645
1-(hydroxymethyl)-4-methylazetidin-2-one
CID 163686029
3-methyl-4-methylidenecyclopentene
CID 59941732
4-[(dimethylamino)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 24840615
(3S,9aR)-3-methyl-3,6,9,9a-tetrahydroquinolizin-4-one
CID 122205838
(3R,9aS)-3-methyl-3,6,9,9a-tetrahydroquinolizin-4-one
CID 101404538
(1R,2R,6R,7R)-4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124711200
(3aR,7aR)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98050631
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
1-(4-methylcyclohepta-1,5-dien-1-yl)propan-1-one
CID 91528802
2-(3-hydroxy-2,2-dimethylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 113294587

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione (CID 163853528) is 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione is CC1C=CCC2=C1C(=O)N(CO)C2=O.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione?
The InChIKey is OWJPIYOSRKOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-3-2-4-7-8(6)10(14)11(5-12)9(7)13/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione?
2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione has a molecular weight of 193.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-4,7-dihydroisoindole-1,3-dione is sourced from PubChem (CID 163853528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).