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

C10H19ClN2O2 — CID 67309446

IUPAC4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride
SMILESCC1(C[N+]2(C)CCCC2)COC(=O)N1.[Cl-]
InChIInChI=1S/C10H18N2O2.ClH/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12;/h3-8H2,1-2H3;1H
InChIKeyUVCNOLBWAGIUOT-UHFFFAOYSA-N
MW234.73 g/mol
LogP-2.27
Rot. Bonds2

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

4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride (PubChem CID 67309446) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride.

Molecular Properties

Compound Name4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride
PubChem CID67309446
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride
SMILESCC1(C[N+]2(C)CCCC2)COC(=O)N1.[Cl-]
InChIInChI=1S/C10H18N2O2.ClH/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12;/h3-8H2,1-2H3;1H
InChIKeyUVCNOLBWAGIUOT-UHFFFAOYSA-N
XLogP-2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride?
The IUPAC name of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride (CID 67309446) is 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride.
What is the SMILES notation for 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride?
The canonical SMILES for 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride is CC1(C[N+]2(C)CCCC2)COC(=O)N1.[Cl-].
What is the InChIKey of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride?
The InChIKey is UVCNOLBWAGIUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.ClH/c1-10(8-14-9(13)11-10)7-12(2)5-3-4-6-12;/h3-8H2,1-2H3;1H.
What are the key properties of 4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride?
4-methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride has a molecular weight of 234.73 g/mol, XLogP of -2.27, 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 chloride is sourced from PubChem (CID 67309446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).