1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone

C10H13ClNOS+ — CID 2429528

IUPAC1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c11-10-4-3-9(14-10)8(13)7-12-5-1-2-6-12/h3-4H,1-2,5-7H2/p+1
InChIKeyNYGTVRMTMXWGHB-UHFFFAOYSA-O
MW230.74 g/mol
LogP1.26
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone

1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone (PubChem CID 2429528) has the molecular formula C10H13ClNOS+ and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone
PubChem CID2429528
Molecular FormulaC10H13ClNOS+
Molecular Weight230.74 g/mol
Exact Mass230.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone
SMILESO=C(C[NH+]1CCCC1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNOS/c11-10-4-3-9(14-10)8(13)7-12-5-1-2-6-12/h3-4H,1-2,5-7H2/p+1
InChIKeyNYGTVRMTMXWGHB-UHFFFAOYSA-O
XLogP1.26
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82127105
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1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
1-(5-chlorothiophen-2-yl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864555
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
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[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
CID 89478549

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone (CID 2429528) is 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone is O=C(C[NH+]1CCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone?
The InChIKey is NYGTVRMTMXWGHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12ClNOS/c11-10-4-3-9(14-10)8(13)7-12-5-1-2-6-12/h3-4H,1-2,5-7H2/p+1.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone?
1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone has a molecular weight of 230.74 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-pyrrolidin-1-ium-1-ylethanone is sourced from PubChem (CID 2429528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).