1-benzylpyrrolidine-3,4-diol

C11H15NO2 — CID 536645

IUPAC1-benzylpyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccc2)CC1O
InChIInChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
InChIKeyQJRIUWQPJVPYSO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.22
Rot. Bonds2

About 1-benzylpyrrolidine-3,4-diol

1-benzylpyrrolidine-3,4-diol (PubChem CID 536645) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-benzylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-benzylpyrrolidine-3,4-diol
PubChem CID536645
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-benzylpyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccc2)CC1O
InChIInChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
InChIKeyQJRIUWQPJVPYSO-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine-3,4-diol?
The IUPAC name of 1-benzylpyrrolidine-3,4-diol (CID 536645) is 1-benzylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-benzylpyrrolidine-3,4-diol?
The canonical SMILES for 1-benzylpyrrolidine-3,4-diol is OC1CN(Cc2ccccc2)CC1O.
What is the InChIKey of 1-benzylpyrrolidine-3,4-diol?
The InChIKey is QJRIUWQPJVPYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2.
What are the key properties of 1-benzylpyrrolidine-3,4-diol?
1-benzylpyrrolidine-3,4-diol has a molecular weight of 193.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine-3,4-diol is sourced from PubChem (CID 536645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).