1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol

C11H23NO2 — CID 14097090

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCCC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-9-10(13)8-12-6-4-5-7-12/h10,13H,4-9H2,1-3H3
InChIKeyDTUQZBHQKYSQIG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 14097090) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID14097090
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCCC1
InChIInChI=1S/C11H23NO2/c1-11(2,3)14-9-10(13)8-12-6-4-5-7-12/h10,13H,4-9H2,1-3H3
InChIKeyDTUQZBHQKYSQIG-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 14097090) is 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol is CC(C)(C)OCC(O)CN1CCCC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is DTUQZBHQKYSQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(2,3)14-9-10(13)8-12-6-4-5-7-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 14097090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).