3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine

C12H23NO2 — CID 91262290

IUPAC3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OC2CCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-10(2)13-7-6-11(9-13)15-12-5-3-4-8-14-12/h10-12H,3-9H2,1-2H3
InChIKeyCQIOGKWWCPOBMS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.01
Rot. Bonds3

About 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine

3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine (PubChem CID 91262290) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine
PubChem CID91262290
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OC2CCCCO2)C1
InChIInChI=1S/C12H23NO2/c1-10(2)13-7-6-11(9-13)15-12-5-3-4-8-14-12/h10-12H,3-9H2,1-2H3
InChIKeyCQIOGKWWCPOBMS-UHFFFAOYSA-N
XLogP2.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine (CID 91262290) is 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine is CC(C)N1CCC(OC2CCCCO2)C1.
What is the InChIKey of 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine?
The InChIKey is CQIOGKWWCPOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13-7-6-11(9-13)15-12-5-3-4-8-14-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine?
3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 91262290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).