4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one

C10H19N2O2+ — CID 59355192

IUPAC4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(C[N+]2(C)CCCC2)COC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12/h3-8H2,1-2H3/p+1
InChIKeyDUKCVHRWPPVWBK-UHFFFAOYSA-O
MW199.27 g/mol
LogP0.73
Rot. Bonds2

About 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one

4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 59355192) has the molecular formula C10H19N2O2+ and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID59355192
Molecular FormulaC10H19N2O2+
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1(C[N+]2(C)CCCC2)COC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12/h3-8H2,1-2H3/p+1
InChIKeyDUKCVHRWPPVWBK-UHFFFAOYSA-O
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one (CID 59355192) is 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one is CC1(C[N+]2(C)CCCC2)COC(=O)N1.
What is the InChIKey of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is DUKCVHRWPPVWBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O2/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12/h3-8H2,1-2H3/p+1.
What are the key properties of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one?
4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 199.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59355192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).