2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine

C9H18N2O — CID 117225837

IUPAC2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
SMILESC1CCN(CCC2NCCO2)C1
InChIInChI=1S/C9H18N2O/c1-2-6-11(5-1)7-3-9-10-4-8-12-9/h9-10H,1-8H2
InChIKeyCNJRNHWJYOOSCU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine

2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine (PubChem CID 117225837) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
PubChem CID117225837
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine
SMILESC1CCN(CCC2NCCO2)C1
InChIInChI=1S/C9H18N2O/c1-2-6-11(5-1)7-3-9-10-4-8-12-9/h9-10H,1-8H2
InChIKeyCNJRNHWJYOOSCU-UHFFFAOYSA-N
XLogP0.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-oxazolidin-2-yl)butyl]-1,3-oxazolidine
CID 23447106
5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine;hydrochloride
CID 117228597
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
CID 117225733
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225732
2-[2-(1,3-oxazolidin-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
CID 91545902
1-(2-cyclopropylethyl)pyrrolidine
CID 67632943
1-[2-(3-methylpyrrolidin-2-yl)ethyl]piperidine
CID 5042776
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-[2-(1,3-oxazolidin-2-yl)ethoxy]ethanol
CID 141360794
5,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazinane;hydrochloride
CID 117227196

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine (CID 117225837) is 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine is C1CCN(CCC2NCCO2)C1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine?
The InChIKey is CNJRNHWJYOOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-6-11(5-1)7-3-9-10-4-8-12-9/h9-10H,1-8H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine?
2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine has a molecular weight of 170.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine is sourced from PubChem (CID 117225837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).