2-(3-methylthiophen-2-yl)pyrrolidin-3-ol

C9H13NOS — CID 112709532

IUPAC2-(3-methylthiophen-2-yl)pyrrolidin-3-ol
SMILESCc1ccsc1C1NCCC1O
InChIInChI=1S/C9H13NOS/c1-6-3-5-12-9(6)8-7(11)2-4-10-8/h3,5,7-8,10-11H,2,4H2,1H3
InChIKeyYBTGSEFYZDPSCM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.45
Rot. Bonds1

About 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol

2-(3-methylthiophen-2-yl)pyrrolidin-3-ol (PubChem CID 112709532) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)pyrrolidin-3-ol
PubChem CID112709532
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(3-methylthiophen-2-yl)pyrrolidin-3-ol
SMILESCc1ccsc1C1NCCC1O
InChIInChI=1S/C9H13NOS/c1-6-3-5-12-9(6)8-7(11)2-4-10-8/h3,5,7-8,10-11H,2,4H2,1H3
InChIKeyYBTGSEFYZDPSCM-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The IUPAC name of 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol (CID 112709532) is 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol is Cc1ccsc1C1NCCC1O.
What is the InChIKey of 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The InChIKey is YBTGSEFYZDPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-3-5-12-9(6)8-7(11)2-4-10-8/h3,5,7-8,10-11H,2,4H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
2-(3-methylthiophen-2-yl)pyrrolidin-3-ol has a molecular weight of 183.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 112709532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).