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

C11H17NOS — CID 131140688

IUPAC1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(c2sccc2C)C1
InChIInChI=1S/C11H17NOS/c1-3-12-6-5-11(13,8-12)10-9(2)4-7-14-10/h4,7,13H,3,5-6,8H2,1-2H3
InChIKeyRZEYUWIQPBFVEH-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.97
Rot. Bonds2

About 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol

1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol (PubChem CID 131140688) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol
PubChem CID131140688
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(c2sccc2C)C1
InChIInChI=1S/C11H17NOS/c1-3-12-6-5-11(13,8-12)10-9(2)4-7-14-10/h4,7,13H,3,5-6,8H2,1-2H3
InChIKeyRZEYUWIQPBFVEH-UHFFFAOYSA-N
XLogP1.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol (CID 131140688) is 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol is CCN1CCC(O)(c2sccc2C)C1.
What is the InChIKey of 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
The InChIKey is RZEYUWIQPBFVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-12-6-5-11(13,8-12)10-9(2)4-7-14-10/h4,7,13H,3,5-6,8H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol?
1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol has a molecular weight of 211.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 131140688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).