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

C18H20N2O3 — CID 170009867

IUPAC3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C21CC1
InChIInChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-14(9-11)20(17(23)18(12)7-8-18)13-5-6-15(21)19-16(13)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21,22)
InChIKeyDARLTWVTEWMMLQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.99
Rot. Bonds2

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

3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione (PubChem CID 170009867) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
PubChem CID170009867
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESCC(C)c1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C21CC1
InChIInChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-14(9-11)20(17(23)18(12)7-8-18)13-5-6-15(21)19-16(13)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21,22)
InChIKeyDARLTWVTEWMMLQ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509
3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
CID 171618726
3-(3'-oxo-6'-propan-2-ylspiro[cyclopropane-1,1'-isoindole]-2'-yl)piperidine-2,6-dione
CID 170081902
CID 178005333
CID 178005333
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
CID 166946007
3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
2-(2,6-dioxopiperidin-3-yl)-5-methyl-6-propan-2-ylisoindole-1,3-dione
CID 178005064
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane
CID 178005512
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione (CID 170009867) is 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione is CC(C)c1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C21CC1.
What is the InChIKey of 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The InChIKey is DARLTWVTEWMMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10(2)11-3-4-12-14(9-11)20(17(23)18(12)7-8-18)13-5-6-15(21)19-16(13)22/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione is sourced from PubChem (CID 170009867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).