4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one

C10H12ClNOS — CID 168508503

IUPAC4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1ccsc1
InChIInChI=1S/C10H12ClNOS/c11-4-9-3-10(13)12(6-9)5-8-1-2-14-7-8/h1-2,7,9H,3-6H2
InChIKeyIKBAQTWYBDIVOY-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.34
Rot. Bonds3

About 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one (PubChem CID 168508503) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
PubChem CID168508503
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1Cc1ccsc1
InChIInChI=1S/C10H12ClNOS/c11-4-9-3-10(13)12(6-9)5-8-1-2-14-7-8/h1-2,7,9H,3-6H2
InChIKeyIKBAQTWYBDIVOY-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

S-[[5-oxo-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168667854
4-(chloromethyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168508497
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
4-(chloromethyl)-1-(1H-indazol-6-ylmethyl)pyrrolidin-2-one
CID 168508451
1-[(4-chlorophenyl)methyl]-4-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 23854510
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
4-(chloromethyl)-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-2-one
CID 168508472
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347
4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
CID 168663170
1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one (CID 168508503) is 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1Cc1ccsc1.
What is the InChIKey of 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is IKBAQTWYBDIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c11-4-9-3-10(13)12(6-9)5-8-1-2-14-7-8/h1-2,7,9H,3-6H2.
What are the key properties of 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 229.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168508503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).