2-ethyl-3-(oxan-3-yl)pyrrolidine

C11H21NO — CID 63739901

IUPAC2-ethyl-3-(oxan-3-yl)pyrrolidine
SMILESCCC1NCCC1C1CCCOC1
InChIInChI=1S/C11H21NO/c1-2-11-10(5-6-12-11)9-4-3-7-13-8-9/h9-12H,2-8H2,1H3
InChIKeyFIYLTSBPVSCUOC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds2

About 2-ethyl-3-(oxan-3-yl)pyrrolidine

2-ethyl-3-(oxan-3-yl)pyrrolidine (PubChem CID 63739901) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethyl-3-(oxan-3-yl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-(oxan-3-yl)pyrrolidine
PubChem CID63739901
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethyl-3-(oxan-3-yl)pyrrolidine
SMILESCCC1NCCC1C1CCCOC1
InChIInChI=1S/C11H21NO/c1-2-11-10(5-6-12-11)9-4-3-7-13-8-9/h9-12H,2-8H2,1H3
InChIKeyFIYLTSBPVSCUOC-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(oxan-3-yl)pyrrolidine?
The IUPAC name of 2-ethyl-3-(oxan-3-yl)pyrrolidine (CID 63739901) is 2-ethyl-3-(oxan-3-yl)pyrrolidine.
What is the SMILES notation for 2-ethyl-3-(oxan-3-yl)pyrrolidine?
The canonical SMILES for 2-ethyl-3-(oxan-3-yl)pyrrolidine is CCC1NCCC1C1CCCOC1.
What is the InChIKey of 2-ethyl-3-(oxan-3-yl)pyrrolidine?
The InChIKey is FIYLTSBPVSCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11-10(5-6-12-11)9-4-3-7-13-8-9/h9-12H,2-8H2,1H3.
What are the key properties of 2-ethyl-3-(oxan-3-yl)pyrrolidine?
2-ethyl-3-(oxan-3-yl)pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(oxan-3-yl)pyrrolidine is sourced from PubChem (CID 63739901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).