(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione

C13H17NO2 — CID 10560840

IUPAC(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione
SMILESC[C@]12CC=C3NC(=O)CC[C@H]3C1CCC2=O
InChIInChI=1S/C13H17NO2/c1-13-7-6-10-8(2-5-12(16)14-10)9(13)3-4-11(13)15/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t8-,9?,13-/m0/s1
InChIKeyCJZICAWJGHHGAR-LNIZJEQCSA-N
MW219.28 g/mol
LogP1.79
Rot. Bonds

About (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione

(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione (PubChem CID 10560840) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione.

Molecular Properties

Compound Name(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione
PubChem CID10560840
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione
SMILESC[C@]12CC=C3NC(=O)CC[C@H]3C1CCC2=O
InChIInChI=1S/C13H17NO2/c1-13-7-6-10-8(2-5-12(16)14-10)9(13)3-4-11(13)15/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t8-,9?,13-/m0/s1
InChIKeyCJZICAWJGHHGAR-LNIZJEQCSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione?
The IUPAC name of (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione (CID 10560840) is (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione.
What is the SMILES notation for (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione?
The canonical SMILES for (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione is C[C@]12CC=C3NC(=O)CC[C@H]3C1CCC2=O.
What is the InChIKey of (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione?
The InChIKey is CJZICAWJGHHGAR-LNIZJEQCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13-7-6-10-8(2-5-12(16)14-10)9(13)3-4-11(13)15/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t8-,9?,13-/m0/s1.
What are the key properties of (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione?
(6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione has a molecular weight of 219.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,9bS)-6a-methyl-1,2,4,6,8,9,9a,9b-octahydrocyclopenta[f]quinoline-3,7-dione is sourced from PubChem (CID 10560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).