1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile

C11H11ClN2OS — CID 106039785

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESN#CC1CC(=O)N(CCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H11ClN2OS/c12-10-2-1-9(16-10)3-4-14-7-8(6-13)5-11(14)15/h1-2,8H,3-5,7H2
InChIKeyRHTOMBUCUPWRQT-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.32
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile

1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 106039785) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID106039785
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESN#CC1CC(=O)N(CCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H11ClN2OS/c12-10-2-1-9(16-10)3-4-14-7-8(6-13)5-11(14)15/h1-2,8H,3-5,7H2
InChIKeyRHTOMBUCUPWRQT-UHFFFAOYSA-N
XLogP2.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-oxopiperidine-3-carbonitrile
CID 116837824
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908
1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
2-[2-(5-chlorothiophen-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 106043649
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82086762
1-[2-(2,3-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82089561
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
CID 114139676
1-[2-(5-chlorothiophen-2-yl)ethyl]piperidin-2-imine
CID 106033706
1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile
CID 79071401
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile (CID 106039785) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile is N#CC1CC(=O)N(CCc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is RHTOMBUCUPWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-10-2-1-9(16-10)3-4-14-7-8(6-13)5-11(14)15/h1-2,8H,3-5,7H2.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 254.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 106039785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).