3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C17H18N2O3 — CID 167342547

IUPAC3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc(C2CC2)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C17H18N2O3/c1-9-2-5-11(10-3-4-10)12-8-19(17(22)15(9)12)13-6-7-14(20)18-16(13)21/h2,5,10,13H,3-4,6-8H2,1H3,(H,18,20,21)
InChIKeyJIUJQYWXHYBJLI-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.63
Rot. Bonds2

About 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167342547) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167342547
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCc1ccc(C2CC2)c2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C17H18N2O3/c1-9-2-5-11(10-3-4-10)12-8-19(17(22)15(9)12)13-6-7-14(20)18-16(13)21/h2,5,10,13H,3-4,6-8H2,1H3,(H,18,20,21)
InChIKeyJIUJQYWXHYBJLI-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(4-chloro-7-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342054
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171641221
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
3-(4-amino-3-oxo-7-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166490098
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335

Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167342547) is 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Cc1ccc(C2CC2)c2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is JIUJQYWXHYBJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9-2-5-11(10-3-4-10)12-8-19(17(22)15(9)12)13-6-7-14(20)18-16(13)21/h2,5,10,13H,3-4,6-8H2,1H3,(H,18,20,21).
What are the key properties of 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 298.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopropyl-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167342547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).