5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one

C8H14N2O2 — CID 117158759

IUPAC5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(CC2CCNC2)O1
InChIInChI=1S/C8H14N2O2/c11-8-10-5-7(12-8)3-6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyIFACWPNTEQPSPQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.09
Rot. Bonds2

About 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one

5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 117158759) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID117158759
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(CC2CCNC2)O1
InChIInChI=1S/C8H14N2O2/c11-8-10-5-7(12-8)3-6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11)
InChIKeyIFACWPNTEQPSPQ-UHFFFAOYSA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
potassium;(5S)-5-(chloromethyl)-1,3-oxazolidin-2-one;cyanate
CID 158990418
1-(2-pyrrolidin-3-ylethyl)imidazolidin-2-one
CID 63624009
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546
2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-5-yl)propanoic acid;ethane;2-methylpropane
CID 142241208
5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-one
CID 115077243
2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
CID 105434511
5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077356

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one (CID 117158759) is 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(CC2CCNC2)O1.
What is the InChIKey of 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is IFACWPNTEQPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8-10-5-7(12-8)3-6-1-2-9-4-6/h6-7,9H,1-5H2,(H,10,11).
What are the key properties of 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).