(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone

C15H15NOS — CID 2908197

IUPAC(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H15NOS/c17-15(14-7-4-10-18-14)16-9-8-13(11-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2
InChIKeyCRZWGLPTVJNIKA-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.38
Rot. Bonds2

About (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone

(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 2908197) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID2908197
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H15NOS/c17-15(14-7-4-10-18-14)16-9-8-13(11-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2
InChIKeyCRZWGLPTVJNIKA-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
(4,5-dibromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 78986133
N-[3-[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111724100

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 2908197) is (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is CRZWGLPTVJNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(14-7-4-10-18-14)16-9-8-13(11-16)12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2.
What are the key properties of (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 257.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2908197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).