1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one

C11H15NOS — CID 116568317

IUPAC1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCNC1
InChIInChI=1S/C11H15NOS/c13-11(9-5-6-12-8-9)4-3-10-2-1-7-14-10/h1-2,7,9,12H,3-6,8H2
InChIKeySJMDABDHLIJDDZ-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.86
Rot. Bonds4

About 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one

1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one (PubChem CID 116568317) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
PubChem CID116568317
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1CCNC1
InChIInChI=1S/C11H15NOS/c13-11(9-5-6-12-8-9)4-3-10-2-1-7-14-10/h1-2,7,9,12H,3-6,8H2
InChIKeySJMDABDHLIJDDZ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110124472
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrrolidine-3-carboxamide
CID 119777460
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one (CID 116568317) is 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one?
The InChIKey is SJMDABDHLIJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c13-11(9-5-6-12-8-9)4-3-10-2-1-7-14-10/h1-2,7,9,12H,3-6,8H2.
What are the key properties of 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one?
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one has a molecular weight of 209.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 116568317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).