3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione

C12H13NO3 — CID 54524291

IUPAC3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CO)(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO3/c1-13-10(15)7-12(8-14,11(13)16)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyYSAJSJFXHIRBLF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.31
Rot. Bonds2

About 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione

3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 54524291) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID54524291
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CO)(c2ccccc2)C1=O
InChIInChI=1S/C12H13NO3/c1-13-10(15)7-12(8-14,11(13)16)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyYSAJSJFXHIRBLF-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
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,N-Diethyl-5-oxo-3-phenyloxolane-3-carboxamide
CID 47781
3-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 13215117
4-(Hydroxymethyl)-4-phenylpyrrolidin-2-one
CID 105444890
4-(3-Fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 105462669
4-Benzyl-5-hydroxy-1-methyl-4-phenylpyrrolidin-2-one
CID 12394601
5-Hydroxy-1-methyl-4,4-diphenylpyrrolidin-2-one
CID 12394604
1-Methyl-3-phenylpyrrolidine-3-carboxylic acid
CID 59670927
2-Oxo-3-phenyl-1-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 69312641
2-[2-(Dimethylamino)ethyl]-3-hydroxy-n,n-dimethyl-2-phenylpentanamide
CID 279901
5-Hydroxy-1,4-dimethyl-4-phenylpyrrolidin-2-one
CID 12394598
5-Hydroxy-1,3-dimethyl-3-phenylpyrrolidin-2-one
CID 12394628
3-Benzyl-5-hydroxy-1-methyl-3-phenylpyrrolidin-2-one
CID 12394631

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione (CID 54524291) is 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione is CN1C(=O)CC(CO)(c2ccccc2)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is YSAJSJFXHIRBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-10(15)7-12(8-14,11(13)16)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione?
3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 54524291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).