1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one

C11H14ClNOS — CID 116583465

IUPAC1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)s1)CC1CCNC1
InChIInChI=1S/C11H14ClNOS/c12-11-2-1-10(15-11)6-9(14)5-8-3-4-13-7-8/h1-2,8,13H,3-7H2
InChIKeyODYSRFRAYIZXDF-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.51
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one

1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one (PubChem CID 116583465) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
PubChem CID116583465
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)s1)CC1CCNC1
InChIInChI=1S/C11H14ClNOS/c12-11-2-1-10(15-11)6-9(14)5-8-3-4-13-7-8/h1-2,8,13H,3-7H2
InChIKeyODYSRFRAYIZXDF-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167780
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
1-(5-chlorothiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586600
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
CID 62674900
2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572587
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one (CID 116583465) is 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one is O=C(Cc1ccc(Cl)s1)CC1CCNC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one?
The InChIKey is ODYSRFRAYIZXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-11-2-1-10(15-11)6-9(14)5-8-3-4-13-7-8/h1-2,8,13H,3-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one?
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one has a molecular weight of 243.76 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one is sourced from PubChem (CID 116583465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).