3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol

C12H23NO2 — CID 103857795

IUPAC3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1C1CCCOC1
InChIInChI=1S/C12H23NO2/c14-8-2-5-11-4-1-7-13(11)12-6-3-9-15-10-12/h11-12,14H,1-10H2
InChIKeyZCWDGXCSKPIKMI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.40
Rot. Bonds4

About 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 103857795) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID103857795
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1C1CCCOC1
InChIInChI=1S/C12H23NO2/c14-8-2-5-11-4-1-7-13(11)12-6-3-9-15-10-12/h11-12,14H,1-10H2
InChIKeyZCWDGXCSKPIKMI-UHFFFAOYSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol (CID 103857795) is 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1C1CCCOC1.
What is the InChIKey of 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZCWDGXCSKPIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-8-2-5-11-4-1-7-13(11)12-6-3-9-15-10-12/h11-12,14H,1-10H2.
What are the key properties of 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 103857795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).