5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one

C9H16N2O2 — CID 118527341

IUPAC5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1CCN(CC2CNC(=O)O2)C1
InChIInChI=1S/C9H16N2O2/c1-7-2-3-11(5-7)6-8-4-10-9(12)13-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyBCYXZDQYXDJRRA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds2

About 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 118527341) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID118527341
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1CCN(CC2CNC(=O)O2)C1
InChIInChI=1S/C9H16N2O2/c1-7-2-3-11(5-7)6-8-4-10-9(12)13-8/h7-8H,2-6H2,1H3,(H,10,12)
InChIKeyBCYXZDQYXDJRRA-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 118527341) is 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one is CC1CCN(CC2CNC(=O)O2)C1.
What is the InChIKey of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is BCYXZDQYXDJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-2-3-11(5-7)6-8-4-10-9(12)13-8/h7-8H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118527341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).