4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione

C12H15NO2 — CID 591156

IUPAC4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCc1cc(=O)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-7-4-10(15)13-8-5-12(2,3)6-9(14)11(7)8/h4H,5-6H2,1-3H3,(H,13,15)
InChIKeyRCJKXGVTRMHHRM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds

About 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione

4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 591156) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID591156
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCc1cc(=O)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C12H15NO2/c1-7-4-10(15)13-8-5-12(2,3)6-9(14)11(7)8/h4H,5-6H2,1-3H3,(H,13,15)
InChIKeyRCJKXGVTRMHHRM-UHFFFAOYSA-N
XLogP1.84
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione (CID 591156) is 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione is Cc1cc(=O)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is RCJKXGVTRMHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-10(15)13-8-5-12(2,3)6-9(14)11(7)8/h4H,5-6H2,1-3H3,(H,13,15).
What are the key properties of 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione?
4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 591156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).