2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol

C12H17NO2 — CID 145054813

IUPAC2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(N2CCCC2)c1O
InChIInChI=1S/C12H17NO2/c1-8-7-10(14)9(2)11(12(8)15)13-5-3-4-6-13/h7,14-15H,3-6H2,1-2H3
InChIKeyAZPDTKQGMAJLRZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.31
Rot. Bonds1

About 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol

2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol (PubChem CID 145054813) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol.

Molecular Properties

Compound Name2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol
PubChem CID145054813
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol
SMILESCc1cc(O)c(C)c(N2CCCC2)c1O
InChIInChI=1S/C12H17NO2/c1-8-7-10(14)9(2)11(12(8)15)13-5-3-4-6-13/h7,14-15H,3-6H2,1-2H3
InChIKeyAZPDTKQGMAJLRZ-UHFFFAOYSA-N
XLogP2.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol?
The IUPAC name of 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol (CID 145054813) is 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol.
What is the SMILES notation for 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol?
The canonical SMILES for 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol is Cc1cc(O)c(C)c(N2CCCC2)c1O.
What is the InChIKey of 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol?
The InChIKey is AZPDTKQGMAJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-7-10(14)9(2)11(12(8)15)13-5-3-4-6-13/h7,14-15H,3-6H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol?
2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol has a molecular weight of 207.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-pyrrolidin-1-ylbenzene-1,4-diol is sourced from PubChem (CID 145054813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).