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

C8H14N2O2 — CID 62371094

IUPAC3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CCNC1
InChIInChI=1S/C8H14N2O2/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h7,9H,1-6H2
InChIKeyQFHACGNMJCBUFQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.05
Rot. Bonds2

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

3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 62371094) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID62371094
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CCNC1
InChIInChI=1S/C8H14N2O2/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h7,9H,1-6H2
InChIKeyQFHACGNMJCBUFQ-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one (CID 62371094) is 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CC1CCNC1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QFHACGNMJCBUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8-10(3-4-12-8)6-7-1-2-9-5-7/h7,9H,1-6H2.
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one?
3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 62371094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).