3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione

C18H20N2O3 — CID 166946007

IUPAC3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
SMILESC=CCc1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C2(C)C
InChIInChI=1S/C18H20N2O3/c1-4-5-11-6-7-12-14(10-11)20(17(23)18(12,2)3)13-8-9-15(21)19-16(13)22/h4,6-7,10,13H,1,5,8-9H2,2-3H3,(H,19,21,22)
InChIKeyKROKEFDTYVKUJF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds3

About 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione

3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione (PubChem CID 166946007) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
PubChem CID166946007
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
SMILESC=CCc1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C2(C)C
InChIInChI=1S/C18H20N2O3/c1-4-5-11-6-7-12-14(10-11)20(17(23)18(12,2)3)13-8-9-15(21)19-16(13)22/h4,6-7,10,13H,1,5,8-9H2,2-3H3,(H,19,21,22)
InChIKeyKROKEFDTYVKUJF-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl(methylidene)-λ4-sulfanyl]methyl]isoindole-1,3-dione
CID 177161217
3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 162504449
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
CID 178005333
CID 178005333
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-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione (CID 166946007) is 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione is C=CCc1ccc2c(c1)N(C1CCC(=O)NC1=O)C(=O)C2(C)C.
What is the InChIKey of 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione?
The InChIKey is KROKEFDTYVKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-5-11-6-7-12-14(10-11)20(17(23)18(12,2)3)13-8-9-15(21)19-16(13)22/h4,6-7,10,13H,1,5,8-9H2,2-3H3,(H,19,21,22).
What are the key properties of 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione?
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 166946007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).