3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C13H11ClN2O3 — CID 66823592

IUPAC3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(Cl)cccc3C2=O)C(=O)N1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18)
InChIKeyYIARPOLJSNXULV-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.10
Rot. Bonds1

About 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 66823592) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID66823592
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(Cl)cccc3C2=O)C(=O)N1
InChIInChI=1S/C13H11ClN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18)
InChIKeyYIARPOLJSNXULV-UHFFFAOYSA-N
XLogP1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Eragidomide
CID 118647211
(R)-Thalidomide
CID 75792
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
N-Methylthalidomide
CID 101195
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2097228
N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
3-(4-Methyl-1-oxoisoindolin-2-yl)piperidine-2,6-dione
CID 9816584

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 66823592) is 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3c(Cl)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is YIARPOLJSNXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18).
What are the key properties of 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 278.69 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 66823592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).