2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione

C12H13NO3 — CID 61208292

IUPAC2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(C)O)C2=O
InChIInChI=1S/C12H13NO3/c1-7-3-4-9-10(5-7)12(16)13(11(9)15)6-8(2)14/h3-5,8,14H,6H2,1-2H3
InChIKeyATGJNOZOFCDAPA-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.97
Rot. Bonds2

About 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione

2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione (PubChem CID 61208292) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
PubChem CID61208292
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CC(C)O)C2=O
InChIInChI=1S/C12H13NO3/c1-7-3-4-9-10(5-7)12(16)13(11(9)15)6-8(2)14/h3-5,8,14H,6H2,1-2H3
InChIKeyATGJNOZOFCDAPA-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.97
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

2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
2-[2-(2-hydroxyethyl)pentyl]-5-methylisoindole-1,3-dione
CID 106116970
2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
CID 102159608
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119582495
N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide
CID 58412749
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
CID 144533118
CID 144533118

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione (CID 61208292) is 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CC(C)O)C2=O.
What is the InChIKey of 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione?
The InChIKey is ATGJNOZOFCDAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-3-4-9-10(5-7)12(16)13(11(9)15)6-8(2)14/h3-5,8,14H,6H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione?
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione has a molecular weight of 219.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 61208292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).