7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione

C11H13NO2 — CID 73183705

IUPAC7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2C=CC(=O)N=C2C1
InChIInChI=1S/C11H13NO2/c1-11(2)5-8-7(9(13)6-11)3-4-10(14)12-8/h3-4,7H,5-6H2,1-2H3
InChIKeyRKZFPOIXYYKIFT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.53
Rot. Bonds

About 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione

7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione (PubChem CID 73183705) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione
PubChem CID73183705
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione
SMILESCC1(C)CC(=O)C2C=CC(=O)N=C2C1
InChIInChI=1S/C11H13NO2/c1-11(2)5-8-7(9(13)6-11)3-4-10(14)12-8/h3-4,7H,5-6H2,1-2H3
InChIKeyRKZFPOIXYYKIFT-UHFFFAOYSA-N
XLogP1.53
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione (CID 73183705) is 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione is CC1(C)CC(=O)C2C=CC(=O)N=C2C1.
What is the InChIKey of 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione?
The InChIKey is RKZFPOIXYYKIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)5-8-7(9(13)6-11)3-4-10(14)12-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione?
7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione has a molecular weight of 191.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dihydro-4aH-quinoline-2,5-dione is sourced from PubChem (CID 73183705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).