2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine

C9H15NS — CID 89049489

IUPAC2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine
SMILESCN1CCCC1C1=CSCC1
InChIInChI=1S/C9H15NS/c1-10-5-2-3-9(10)8-4-6-11-7-8/h7,9H,2-6H2,1H3
InChIKeyRDHQLEDEMMJWTB-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.10
Rot. Bonds1

About 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine

2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine (PubChem CID 89049489) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine
PubChem CID89049489
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine
SMILESCN1CCCC1C1=CSCC1
InChIInChI=1S/C9H15NS/c1-10-5-2-3-9(10)8-4-6-11-7-8/h7,9H,2-6H2,1H3
InChIKeyRDHQLEDEMMJWTB-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine?
The IUPAC name of 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine (CID 89049489) is 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine?
The canonical SMILES for 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine is CN1CCCC1C1=CSCC1.
What is the InChIKey of 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine?
The InChIKey is RDHQLEDEMMJWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-10-5-2-3-9(10)8-4-6-11-7-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine?
2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-4-yl)-1-methylpyrrolidine is sourced from PubChem (CID 89049489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).