3-pyrrolidin-2-ylpropan-1-ol

C7H15NO — CID 13029331

IUPAC3-pyrrolidin-2-ylpropan-1-ol
SMILESOCCCC1CCCN1
InChIInChI=1S/C7H15NO/c9-6-2-4-7-3-1-5-8-7/h7-9H,1-6H2
InChIKeyJAAFQZNROQTUIW-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds3

About 3-pyrrolidin-2-ylpropan-1-ol

3-pyrrolidin-2-ylpropan-1-ol (PubChem CID 13029331) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-2-ylpropan-1-ol
PubChem CID13029331
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-pyrrolidin-2-ylpropan-1-ol
SMILESOCCCC1CCCN1
InChIInChI=1S/C7H15NO/c9-6-2-4-7-3-1-5-8-7/h7-9H,1-6H2
InChIKeyJAAFQZNROQTUIW-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylpropan-1-ol?
The IUPAC name of 3-pyrrolidin-2-ylpropan-1-ol (CID 13029331) is 3-pyrrolidin-2-ylpropan-1-ol.
What is the SMILES notation for 3-pyrrolidin-2-ylpropan-1-ol?
The canonical SMILES for 3-pyrrolidin-2-ylpropan-1-ol is OCCCC1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylpropan-1-ol?
The InChIKey is JAAFQZNROQTUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c9-6-2-4-7-3-1-5-8-7/h7-9H,1-6H2.
What are the key properties of 3-pyrrolidin-2-ylpropan-1-ol?
3-pyrrolidin-2-ylpropan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylpropan-1-ol is sourced from PubChem (CID 13029331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).