1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene

C13H17NO3 — CID 158046722

IUPAC1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=C1CCC(=O)N1O
InChIInChI=1S/C9H12.C4H5NO3/c1-7-4-8(2)6-9(3)5-7;6-3-1-2-4(7)5(3)8/h4-6H,1-3H3;8H,1-2H2
InChIKeyFIZRXCPCVBNILR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.14
Rot. Bonds

About 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene

1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene (PubChem CID 158046722) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene
PubChem CID158046722
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=C1CCC(=O)N1O
InChIInChI=1S/C9H12.C4H5NO3/c1-7-4-8(2)6-9(3)5-7;6-3-1-2-4(7)5(3)8/h4-6H,1-3H3;8H,1-2H2
InChIKeyFIZRXCPCVBNILR-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene 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

azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
ethene;1-hydroxypyrrolidine-2,5-dione
CID 142301114
1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione
CID 11053620
carbonic acid;1-hydroxypyrrolidine-2,5-dione;pyridine
CID 161237221
1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid
CID 22721506
2,3-dihydroxybutanedioic acid;1-hydroxypyrrolidine-2,5-dione
CID 174888237
1-hydroxy-5-sulfanylidenepyrrolidin-2-one
CID 140625506
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
formaldehyde;1-hydroxy-5-methylidenepyrrolidin-2-one
CID 143408088
6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene (CID 158046722) is 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene?
The InChIKey is FIZRXCPCVBNILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H5NO3/c1-7-4-8(2)6-9(3)5-7;6-3-1-2-4(7)5(3)8/h4-6H,1-3H3;8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene?
1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene has a molecular weight of 235.28 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;1,3,5-trimethylbenzene is sourced from PubChem (CID 158046722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).