(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone

C10H12ClNOS — CID 130646168

IUPAC(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccsc2Cl)CCNC1
InChIInChI=1S/C10H12ClNOS/c1-10(3-4-12-6-10)8(13)7-2-5-14-9(7)11/h2,5,12H,3-4,6H2,1H3
InChIKeyLXHHOAOTZVKAAT-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.58
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone

(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 130646168) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID130646168
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1(C(=O)c2ccsc2Cl)CCNC1
InChIInChI=1S/C10H12ClNOS/c1-10(3-4-12-6-10)8(13)7-2-5-14-9(7)11/h2,5,12H,3-4,6H2,1H3
InChIKeyLXHHOAOTZVKAAT-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone (CID 130646168) is (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone is CC1(C(=O)c2ccsc2Cl)CCNC1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is LXHHOAOTZVKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-10(3-4-12-6-10)8(13)7-2-5-14-9(7)11/h2,5,12H,3-4,6H2,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone?
(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 229.73 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 130646168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).