(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione

C11H13NOS — CID 551134

IUPAC(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCCC1
InChIInChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
InChIKeyQIKLOVZAPGSYNO-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.16
Rot. Bonds1

About (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione

(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione (PubChem CID 551134) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione.

Molecular Properties

Compound Name(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
PubChem CID551134
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
SMILESOc1ccccc1C(=S)N1CCCC1
InChIInChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2
InChIKeyQIKLOVZAPGSYNO-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione?
The IUPAC name of (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione (CID 551134) is (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione.
What is the SMILES notation for (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione?
The canonical SMILES for (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione is Oc1ccccc1C(=S)N1CCCC1.
What is the InChIKey of (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione?
The InChIKey is QIKLOVZAPGSYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2.
What are the key properties of (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione?
(2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione has a molecular weight of 207.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-pyrrolidin-1-ylmethanethione is sourced from PubChem (CID 551134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).