3-(1-propylpyrrolidin-3-yl)phenol

C13H19NO — CID 11074524

IUPAC3-(1-propylpyrrolidin-3-yl)phenol
SMILESCCCN1CCC(c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-2-7-14-8-6-12(10-14)11-4-3-5-13(15)9-11/h3-5,9,12,15H,2,6-8,10H2,1H3
InChIKeyWPYVGSUSOOZONM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds3

About 3-(1-propylpyrrolidin-3-yl)phenol

3-(1-propylpyrrolidin-3-yl)phenol (PubChem CID 11074524) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(1-propylpyrrolidin-3-yl)phenol.

Molecular Properties

Compound Name3-(1-propylpyrrolidin-3-yl)phenol
PubChem CID11074524
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(1-propylpyrrolidin-3-yl)phenol
SMILESCCCN1CCC(c2cccc(O)c2)C1
InChIInChI=1S/C13H19NO/c1-2-7-14-8-6-12(10-14)11-4-3-5-13(15)9-11/h3-5,9,12,15H,2,6-8,10H2,1H3
InChIKeyWPYVGSUSOOZONM-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpyrrolidin-3-yl)phenol?
The IUPAC name of 3-(1-propylpyrrolidin-3-yl)phenol (CID 11074524) is 3-(1-propylpyrrolidin-3-yl)phenol.
What is the SMILES notation for 3-(1-propylpyrrolidin-3-yl)phenol?
The canonical SMILES for 3-(1-propylpyrrolidin-3-yl)phenol is CCCN1CCC(c2cccc(O)c2)C1.
What is the InChIKey of 3-(1-propylpyrrolidin-3-yl)phenol?
The InChIKey is WPYVGSUSOOZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-7-14-8-6-12(10-14)11-4-3-5-13(15)9-11/h3-5,9,12,15H,2,6-8,10H2,1H3.
What are the key properties of 3-(1-propylpyrrolidin-3-yl)phenol?
3-(1-propylpyrrolidin-3-yl)phenol has a molecular weight of 205.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpyrrolidin-3-yl)phenol is sourced from PubChem (CID 11074524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).