(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H14ClNOS — CID 47102179

IUPAC(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1c1cccs1
InChIInChI=1S/C15H14ClNOS/c16-12-5-1-4-11(10-12)15(18)17-8-2-6-13(17)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2
InChIKeyNRERSISYZUMRRH-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.38
Rot. Bonds2

About (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 47102179) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID47102179
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1c1cccs1
InChIInChI=1S/C15H14ClNOS/c16-12-5-1-4-11(10-12)15(18)17-8-2-6-13(17)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2
InChIKeyNRERSISYZUMRRH-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9440775
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
3-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 94029885
2,3-dihydro-1H-isoindol-5-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103998485
(3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 8916314
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018641
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 47102179) is (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(Cl)c1)N1CCCC1c1cccs1.
What is the InChIKey of (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is NRERSISYZUMRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-12-5-1-4-11(10-12)15(18)17-8-2-6-13(17)14-7-3-9-19-14/h1,3-5,7,9-10,13H,2,6,8H2.
What are the key properties of (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 291.80 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).