propan-2-ol;pyrrolidin-3-ylmethanol

C8H19NO2 — CID 143016223

IUPACpropan-2-ol;pyrrolidin-3-ylmethanol
SMILESCC(C)O.OCC1CCNC1
InChIInChI=1S/C5H11NO.C3H8O/c7-4-5-1-2-6-3-5;1-3(2)4/h5-7H,1-4H2;3-4H,1-2H3
InChIKeyIQIBOXBAZPXLGG-UHFFFAOYSA-N
MW161.25 g/mol
LogP-0.02
Rot. Bonds1

About propan-2-ol;pyrrolidin-3-ylmethanol

propan-2-ol;pyrrolidin-3-ylmethanol (PubChem CID 143016223) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is propan-2-ol;pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Namepropan-2-ol;pyrrolidin-3-ylmethanol
PubChem CID143016223
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Namepropan-2-ol;pyrrolidin-3-ylmethanol
SMILESCC(C)O.OCC1CCNC1
InChIInChI=1S/C5H11NO.C3H8O/c7-4-5-1-2-6-3-5;1-3(2)4/h5-7H,1-4H2;3-4H,1-2H3
InChIKeyIQIBOXBAZPXLGG-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze propan-2-ol;pyrrolidin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;pyrrolidin-3-ylmethanol?
The IUPAC name of propan-2-ol;pyrrolidin-3-ylmethanol (CID 143016223) is propan-2-ol;pyrrolidin-3-ylmethanol.
What is the SMILES notation for propan-2-ol;pyrrolidin-3-ylmethanol?
The canonical SMILES for propan-2-ol;pyrrolidin-3-ylmethanol is CC(C)O.OCC1CCNC1.
What is the InChIKey of propan-2-ol;pyrrolidin-3-ylmethanol?
The InChIKey is IQIBOXBAZPXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C3H8O/c7-4-5-1-2-6-3-5;1-3(2)4/h5-7H,1-4H2;3-4H,1-2H3.
What are the key properties of propan-2-ol;pyrrolidin-3-ylmethanol?
propan-2-ol;pyrrolidin-3-ylmethanol has a molecular weight of 161.25 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;pyrrolidin-3-ylmethanol is sourced from PubChem (CID 143016223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).