4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one

C10H18N2O2 — CID 67309448

IUPAC4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(N1CCCC1)C1(C)COC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-8(12-5-3-4-6-12)10(2)7-14-9(13)11-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyINKCGIJVYNNCBE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds2

About 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one

4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one (PubChem CID 67309448) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one
PubChem CID67309448
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one
SMILESCC(N1CCCC1)C1(C)COC(=O)N1
InChIInChI=1S/C10H18N2O2/c1-8(12-5-3-4-6-12)10(2)7-14-9(13)11-10/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyINKCGIJVYNNCBE-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Oxa-1,7-diazaspiro[4.4]nonan-2-one hydrochloride
CID 146675782
4-(Pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 57550256
(4S)-4-[(3-methylbutylamino)methyl]-1,3-oxazolidin-2-one
CID 57733778
tert-butyl N-(4-methoxy-1,3-dimethylpyrrolidin-3-yl)carbamate
CID 57758702
Ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
CID 59355167
Dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium
CID 59355168
Trimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
CID 59355172
4-Methyl-4-(pyrrolidin-1-ylmethyl)oxazolidin-2-one
CID 59355175
4-Methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one
CID 59355192
4-Methyl-4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,3-oxazolidin-2-one chloride
CID 67309446
N,N,N-trimethyl-1-(4-methyl-2-oxooxazolidin-4-yl)methanaminium chloride
CID 68561944
N,N-Dimethyl-N-((4-methyl-2-oxooxazolidin-4-yl)methyl)propan-1-aminium chloride
CID 68562483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one (CID 67309448) is 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one is CC(N1CCCC1)C1(C)COC(=O)N1.
What is the InChIKey of 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one?
The InChIKey is INKCGIJVYNNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(12-5-3-4-6-12)10(2)7-14-9(13)11-10/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one?
4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one has a molecular weight of 198.27 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 4-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67309448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).