3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol

C11H22N2O2 — CID 82850475

IUPAC3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C11H22N2O2/c14-8-9(15)7-13-6-2-4-11(13)10-3-1-5-12-10/h9-12,14-15H,1-8H2
InChIKeyIBILDUAAYFFXOM-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.44
Rot. Bonds4

About 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol

3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol (PubChem CID 82850475) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
PubChem CID82850475
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC1C1CCCN1
InChIInChI=1S/C11H22N2O2/c14-8-9(15)7-13-6-2-4-11(13)10-3-1-5-12-10/h9-12,14-15H,1-8H2
InChIKeyIBILDUAAYFFXOM-UHFFFAOYSA-N
XLogP-0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol (CID 82850475) is 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol is OCC(O)CN1CCCC1C1CCCN1.
What is the InChIKey of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is IBILDUAAYFFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-8-9(15)7-13-6-2-4-11(13)10-3-1-5-12-10/h9-12,14-15H,1-8H2.
What are the key properties of 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol?
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 214.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 82850475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).