4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one

C11H14ClNOS — CID 168506589

IUPAC4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccs1)N1CC(CCl)CC1=O
InChIInChI=1S/C11H14ClNOS/c1-8(10-3-2-4-15-10)13-7-9(6-12)5-11(13)14/h2-4,8-9H,5-7H2,1H3
InChIKeyCTIYOYRAZNNSIS-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.90
Rot. Bonds3

About 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one

4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one (PubChem CID 168506589) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
PubChem CID168506589
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccs1)N1CC(CCl)CC1=O
InChIInChI=1S/C11H14ClNOS/c1-8(10-3-2-4-15-10)13-7-9(6-12)5-11(13)14/h2-4,8-9H,5-7H2,1H3
InChIKeyCTIYOYRAZNNSIS-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.90
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

5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
CID 168710917
4-(chloromethyl)-1-[1-(2,4-difluorophenyl)ethyl]pyrrolidin-2-one
CID 168506566
4-(chloromethyl)-1-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidin-2-one
CID 168506535
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
4-ethenyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-2-one
CID 168683619
1,3,5-tris(1-thiophen-2-ylethyl)-1,3,5-triazinane
CID 68714918
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235
5-oxo-1-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxylic acid
CID 54962875
(2R)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-(2-chlorophenyl)acetic acid
CID 168506795
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one (CID 168506589) is 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one is CC(c1cccs1)N1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one?
The InChIKey is CTIYOYRAZNNSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8(10-3-2-4-15-10)13-7-9(6-12)5-11(13)14/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one has a molecular weight of 243.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168506589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).