(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione

C13H17NO2 — CID 10536868

IUPAC(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione
SMILESC[C@]12CCC3=C(CCC(=O)N3)C1CCC2=O
InChIInChI=1S/C13H17NO2/c1-13-7-6-10-8(2-5-12(16)14-10)9(13)3-4-11(13)15/h9H,2-7H2,1H3,(H,14,16)/t9?,13-/m0/s1
InChIKeyMAGJNSIKLCLXAO-NCWAPJAISA-N
MW219.28 g/mol
LogP1.93
Rot. Bonds

About (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione

(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione (PubChem CID 10536868) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione.

Molecular Properties

Compound Name(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione
PubChem CID10536868
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione
SMILESC[C@]12CCC3=C(CCC(=O)N3)C1CCC2=O
InChIInChI=1S/C13H17NO2/c1-13-7-6-10-8(2-5-12(16)14-10)9(13)3-4-11(13)15/h9H,2-7H2,1H3,(H,14,16)/t9?,13-/m0/s1
InChIKeyMAGJNSIKLCLXAO-NCWAPJAISA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione with MolForge

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Launch Full Analysis

Related Compounds

(3aR,7aR)-7a-methyl-4-methylidene-3,3a,6,7-tetrahydro-2H-indene-1,5-dione
CID 130992542
(5R,10R,13R,14R)-5,13-dimethyl-2,4,6,7,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 11869195
(5R,10S,13S,14R)-5,13-dimethyl-2,4,6,7,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 124910219
(6aR,9aS)-3-ethyl-6a-methyl-1,2,3,5,6,8,9,9a-octahydrocyclopenta[f]chromen-7-one
CID 22794202
(13S,14S)-3-hydroxy-13-methyl-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 6451472
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(2R,4aS)-2,4a-dimethyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 143295231
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924
(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 57244558
(3aS,5aR,8bS)-5a-methyl-2,3,3a,4,6,7,8,8b-octahydroacenaphthylen-5-one
CID 102506672
5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 130029475
(3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 67671329

Frequently Asked Questions

What is the IUPAC name of (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione?
The IUPAC name of (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione (CID 10536868) is (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione.
What is the SMILES notation for (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione?
The canonical SMILES for (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione is C[C@]12CCC3=C(CCC(=O)N3)C1CCC2=O.
What is the InChIKey of (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione?
The InChIKey is MAGJNSIKLCLXAO-NCWAPJAISA-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/h9H,2-7H2,1H3,(H,14,16)/t9?,13-/m0/s1.
What are the key properties of (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione?
(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione has a molecular weight of 219.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione is sourced from PubChem (CID 10536868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).