3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one

C19H23NO2 — CID 164983292

IUPAC3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1
InChIInChI=1S/C19H23NO2/c1-11-8-9-13(18(22)20-11)15-10-14-12(17(15)21)6-5-7-16(14)19(2,3)4/h5-7,13,15H,1,8-10H2,2-4H3,(H,20,22)
InChIKeyYKTOSDCWJPSGOQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.38
Rot. Bonds1

About 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one

3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one (PubChem CID 164983292) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
PubChem CID164983292
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1
InChIInChI=1S/C19H23NO2/c1-11-8-9-13(18(22)20-11)15-10-14-12(17(15)21)6-5-7-16(14)19(2,3)4/h5-7,13,15H,1,8-10H2,2-4H3,(H,20,22)
InChIKeyYKTOSDCWJPSGOQ-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
3-(4-tert-butyl-3-methylindol-1-yl)-6-methylidenepiperidin-2-one
CID 170129226
3-(4-tert-butylbenzimidazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129221
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721
2-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-ylphenalene-1,3-dione
CID 167644004
3-(7-tert-butyl-3-methylindazol-1-yl)-6-methylidenepiperidin-2-one
CID 170129239
7-tert-butyl-3-methylidene-1,2-dihydroindene
CID 59813046
3-(4-tert-butyl-2-methylphenyl)-6-methylidenepiperidin-2-one
CID 170079675
3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)-6-methylidenepiperidin-2-one
CID 170129244
5-tert-butyl-4-chloro-2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 158005992
5-fluoro-2-(6-methylidene-2-oxopiperidin-3-yl)indene-1,3-dione
CID 170275297

Frequently Asked Questions

What is the IUPAC name of 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one?
The IUPAC name of 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one (CID 164983292) is 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one.
What is the SMILES notation for 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one?
The canonical SMILES for 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one is C=C1CCC(C2Cc3c(cccc3C(C)(C)C)C2=O)C(=O)N1.
What is the InChIKey of 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one?
The InChIKey is YKTOSDCWJPSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-11-8-9-13(18(22)20-11)15-10-14-12(17(15)21)6-5-7-16(14)19(2,3)4/h5-7,13,15H,1,8-10H2,2-4H3,(H,20,22).
What are the key properties of 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one?
3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-tert-butyl-3-oxo-1,2-dihydroinden-2-yl)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 164983292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).