7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione

C10H11NO2 — CID 85132181

IUPAC7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CC(=O)C2C=CC(=O)N=C2C1
InChIInChI=1S/C10H11NO2/c1-6-4-8-7(9(12)5-6)2-3-10(13)11-8/h2-3,6-7H,4-5H2,1H3
InChIKeySYGPDMVVYFVJLJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.14
Rot. Bonds

About 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione

7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 85132181) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID85132181
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CC(=O)C2C=CC(=O)N=C2C1
InChIInChI=1S/C10H11NO2/c1-6-4-8-7(9(12)5-6)2-3-10(13)11-8/h2-3,6-7H,4-5H2,1H3
InChIKeySYGPDMVVYFVJLJ-UHFFFAOYSA-N
XLogP1.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione (CID 85132181) is 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione is CC1CC(=O)C2C=CC(=O)N=C2C1.
What is the InChIKey of 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is SYGPDMVVYFVJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-4-8-7(9(12)5-6)2-3-10(13)11-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione?
7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 177.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 85132181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).