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

C8H14N2O2 — CID 105434511

IUPAC2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CC1CCNC1
InChIInChI=1S/C8H14N2O2/c11-8-2-4-12-10(8)6-7-1-3-9-5-7/h7,9H,1-6H2
InChIKeyVOYCSHIGWCIXDV-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.24
Rot. Bonds2

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

2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one (PubChem CID 105434511) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
PubChem CID105434511
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CC1CCNC1
InChIInChI=1S/C8H14N2O2/c11-8-2-4-12-10(8)6-7-1-3-9-5-7/h7,9H,1-6H2
InChIKeyVOYCSHIGWCIXDV-UHFFFAOYSA-N
XLogP-0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one (CID 105434511) is 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one is O=C1CCON1CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one?
The InChIKey is VOYCSHIGWCIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8-2-4-12-10(8)6-7-1-3-9-5-7/h7,9H,1-6H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one?
2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one has a molecular weight of 170.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 105434511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).