3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione

C18H20N2O3 — CID 170081902

IUPAC3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)C1(CC1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-13(9-11)18(7-8-18)20(17(12)23)14-5-6-15(21)19-16(14)22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,21,22)
InChIKeyLKVBXMWFXIWZAJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.06
Rot. Bonds2

About 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione

3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione (PubChem CID 170081902) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
PubChem CID170081902
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)C1(CC1)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-13(9-11)18(7-8-18)20(17(12)23)14-5-6-15(21)19-16(14)22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,21,22)
InChIKeyLKVBXMWFXIWZAJ-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-cyclobutyl-2-(2,6-dioxopiperidin-3-yl)-3-methyl-1-oxoisoindole-5-carboxamide
CID 175522806
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-hydroxyacetaldehyde
CID 166784786
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione (CID 170081902) is 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione is CC(C)c1ccc2c(c1)C1(CC1)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione?
The InChIKey is LKVBXMWFXIWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-13(9-11)18(7-8-18)20(17(12)23)14-5-6-15(21)19-16(14)22/h3-4,9-10,14H,5-8H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione?
3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione is sourced from PubChem (CID 170081902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).