2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]

C13H19NS — CID 62841110

IUPAC2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
SMILESCCC1NCCC12CCCc1sccc12
InChIInChI=1S/C13H19NS/c1-2-12-13(7-8-14-12)6-3-4-11-10(13)5-9-15-11/h5,9,12,14H,2-4,6-8H2,1H3
InChIKeyGZLLJHQZQNRZJI-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.09
Rot. Bonds1

About 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]

2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] (PubChem CID 62841110) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine].

Molecular Properties

Compound Name2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
PubChem CID62841110
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
SMILESCCC1NCCC12CCCc1sccc12
InChIInChI=1S/C13H19NS/c1-2-12-13(7-8-14-12)6-3-4-11-10(13)5-9-15-11/h5,9,12,14H,2-4,6-8H2,1H3
InChIKeyGZLLJHQZQNRZJI-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-(2-methylpropyl)spiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
CID 55122150
2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 62354992
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
CID 176611134
4-(ethylamino)-6,7-dihydro-5H-1-benzothiophene-4-carboxamide
CID 62841107
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394
2-ethyl-3-(5-ethylthiophen-2-yl)-3-methylpyrrolidine
CID 62355189
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617
4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 86218651
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 129386416
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
2-ethyl-3-methyl-3-(4-propylphenyl)pyrrolidine
CID 55191908

Frequently Asked Questions

What is the IUPAC name of 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]?
The IUPAC name of 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] (CID 62841110) is 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine].
What is the SMILES notation for 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]?
The canonical SMILES for 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] is CCC1NCCC12CCCc1sccc12.
What is the InChIKey of 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]?
The InChIKey is GZLLJHQZQNRZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-12-13(7-8-14-12)6-3-4-11-10(13)5-9-15-11/h5,9,12,14H,2-4,6-8H2,1H3.
What are the key properties of 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]?
2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] has a molecular weight of 221.37 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine] is sourced from PubChem (CID 62841110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).