cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C12H15NOS — CID 94117667

IUPACcyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H15NOS/c14-12(9-3-4-9)13-6-1-2-11(13)10-5-7-15-8-10/h5,7-9,11H,1-4,6H2/t11-/m1/s1
InChIKeyVNWQGEQOMZKDMR-LLVKDONJSA-N
MW221.32 g/mol
LogP2.82
Rot. Bonds2

About cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 94117667) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID94117667
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Namecyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H15NOS/c14-12(9-3-4-9)13-6-1-2-11(13)10-5-7-15-8-10/h5,7-9,11H,1-4,6H2/t11-/m1/s1
InChIKeyVNWQGEQOMZKDMR-LLVKDONJSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone 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

1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
piperidin-2-yl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 54871703
[1-(pyridine-3-carbonyl)piperidin-4-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949199
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714417
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94117809

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 94117667) is cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is VNWQGEQOMZKDMR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NOS/c14-12(9-3-4-9)13-6-1-2-11(13)10-5-7-15-8-10/h5,7-9,11H,1-4,6H2/t11-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 221.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94117667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).