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

N-Methylphthalimide
CID 11074
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-Phthaloylglycine
CID 20825
2-Phthalimidopropionic acid
CID 86884
N-(2-Methylallyl)-phthalimide
CID 231838
Phthalimidoacetone
CID 235046
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
2-(3-Methoxypropyl)-3-Oxo-2,3-Dihydro-1h-Isoindole-4-Carboxamide
CID 20854918

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).