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

C9H16N2O2 — CID 114794725

IUPAC3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCC1CCCN1
InChIInChI=1S/C9H16N2O2/c12-9-11(6-7-13-9)5-3-8-2-1-4-10-8/h8,10H,1-7H2
InChIKeyPBRXXMHWGYNHJR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.58
Rot. Bonds3

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

3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one (PubChem CID 114794725) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one
PubChem CID114794725
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCC1CCCN1
InChIInChI=1S/C9H16N2O2/c12-9-11(6-7-13-9)5-3-8-2-1-4-10-8/h8,10H,1-7H2
InChIKeyPBRXXMHWGYNHJR-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one (CID 114794725) is 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CCC1CCCN1.
What is the InChIKey of 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one?
The InChIKey is PBRXXMHWGYNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-11(6-7-13-9)5-3-8-2-1-4-10-8/h8,10H,1-7H2.
What are the key properties of 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one?
3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-ylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 114794725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).