1-methyl-3-thiophen-2-ylpyrrolidin-3-ol

C9H13NOS — CID 62976900

IUPAC1-methyl-3-thiophen-2-ylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cccs2)C1
InChIInChI=1S/C9H13NOS/c1-10-5-4-9(11,7-10)8-3-2-6-12-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyMTHPBWQOWBFXID-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds1

About 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol

1-methyl-3-thiophen-2-ylpyrrolidin-3-ol (PubChem CID 62976900) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylpyrrolidin-3-ol
PubChem CID62976900
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-methyl-3-thiophen-2-ylpyrrolidin-3-ol
SMILESCN1CCC(O)(c2cccs2)C1
InChIInChI=1S/C9H13NOS/c1-10-5-4-9(11,7-10)8-3-2-6-12-8/h2-3,6,11H,4-5,7H2,1H3
InChIKeyMTHPBWQOWBFXID-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol (CID 62976900) is 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol is CN1CCC(O)(c2cccs2)C1.
What is the InChIKey of 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol?
The InChIKey is MTHPBWQOWBFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-10-5-4-9(11,7-10)8-3-2-6-12-8/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol?
1-methyl-3-thiophen-2-ylpyrrolidin-3-ol has a molecular weight of 183.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 62976900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).