1-pyrrolidin-3-ylpyrrolidin-3-ol

C8H16N2O — CID 53407971

IUPAC1-pyrrolidin-3-ylpyrrolidin-3-ol
SMILESOC1CCN(C2CCNC2)C1
InChIInChI=1S/C8H16N2O/c11-8-2-4-10(6-8)7-1-3-9-5-7/h7-9,11H,1-6H2
InChIKeyJJCCEBREJOLZJG-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds1

About 1-pyrrolidin-3-ylpyrrolidin-3-ol

1-pyrrolidin-3-ylpyrrolidin-3-ol (PubChem CID 53407971) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpyrrolidin-3-ol
PubChem CID53407971
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-pyrrolidin-3-ylpyrrolidin-3-ol
SMILESOC1CCN(C2CCNC2)C1
InChIInChI=1S/C8H16N2O/c11-8-2-4-10(6-8)7-1-3-9-5-7/h7-9,11H,1-6H2
InChIKeyJJCCEBREJOLZJG-UHFFFAOYSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpyrrolidin-3-ol?
The IUPAC name of 1-pyrrolidin-3-ylpyrrolidin-3-ol (CID 53407971) is 1-pyrrolidin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-pyrrolidin-3-ylpyrrolidin-3-ol?
The canonical SMILES for 1-pyrrolidin-3-ylpyrrolidin-3-ol is OC1CCN(C2CCNC2)C1.
What is the InChIKey of 1-pyrrolidin-3-ylpyrrolidin-3-ol?
The InChIKey is JJCCEBREJOLZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-8-2-4-10(6-8)7-1-3-9-5-7/h7-9,11H,1-6H2.
What are the key properties of 1-pyrrolidin-3-ylpyrrolidin-3-ol?
1-pyrrolidin-3-ylpyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 53407971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).