1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone

C13H13NOS — CID 116547417

IUPAC1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
SMILESO=C(c1cccc2ccsc12)C1CCCN1
InChIInChI=1S/C13H13NOS/c15-12(11-5-2-7-14-11)10-4-1-3-9-6-8-16-13(9)10/h1,3-4,6,8,11,14H,2,5,7H2
InChIKeyABFNHYFZUKRRHJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.84
Rot. Bonds2

About 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone

1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone (PubChem CID 116547417) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
PubChem CID116547417
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
SMILESO=C(c1cccc2ccsc12)C1CCCN1
InChIInChI=1S/C13H13NOS/c15-12(11-5-2-7-14-11)10-4-1-3-9-6-8-16-13(9)10/h1,3-4,6,8,11,14H,2,5,7H2
InChIKeyABFNHYFZUKRRHJ-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzothiophen-7-yl)pyrrolidine
CID 97053087
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
1-(1-benzothiophen-7-yl)-2-cyclohexyl-2-hydroxyethanone
CID 103457692
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
1-benzothiophen-7-yl(cyclohexen-1-yl)methanone
CID 103450051
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
CID 115791036
[(2S)-pyrrolidin-2-yl]-(1H-pyrrol-2-yl)methanone
CID 140972419
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
CID 138594047
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone (CID 116547417) is 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone is O=C(c1cccc2ccsc12)C1CCCN1.
What is the InChIKey of 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone?
The InChIKey is ABFNHYFZUKRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-12(11-5-2-7-14-11)10-4-1-3-9-6-8-16-13(9)10/h1,3-4,6,8,11,14H,2,5,7H2.
What are the key properties of 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone?
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone has a molecular weight of 231.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone is sourced from PubChem (CID 116547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).