5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione

C14H13ClN2O3 — CID 113201440

IUPAC5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)N1CCCC1
InChIInChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(7-9)14(20)17(13(10)19)8-12(18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyTVPLHTINROPSID-UHFFFAOYSA-N
MW292.72 g/mol
LogP1.56
Rot. Bonds2

About 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione

5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione (PubChem CID 113201440) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
PubChem CID113201440
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)N1CCCC1
InChIInChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(7-9)14(20)17(13(10)19)8-12(18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2
InChIKeyTVPLHTINROPSID-UHFFFAOYSA-N
XLogP1.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 2706931
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
2-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108568401
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 119416655
5-bromo-2-[2-(1,4-diazepan-1-yl)-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119416654
4-[3-(5-chloro-1,3-dioxoisoindol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 113202269
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
CID 2411932
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The IUPAC name of 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione (CID 113201440) is 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione is O=C(CN1C(=O)c2ccc(Cl)cc2C1=O)N1CCCC1.
What is the InChIKey of 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The InChIKey is TVPLHTINROPSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-9-3-4-10-11(7-9)14(20)17(13(10)19)8-12(18)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione has a molecular weight of 292.72 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 113201440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).