2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

C19H21NO — CID 57202439

IUPAC2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3CC12
InChIInChI=1S/C19H21NO/c1-11-10-19(2,3)20-17-9-16-15(8-14(11)17)12-6-4-5-7-13(12)18(16)21/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyCNJQLDWWCHMHHE-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.17
Rot. Bonds

About 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one

2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (PubChem CID 57202439) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.

Molecular Properties

Compound Name2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
PubChem CID57202439
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
SMILESCC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3CC12
InChIInChI=1S/C19H21NO/c1-11-10-19(2,3)20-17-9-16-15(8-14(11)17)12-6-4-5-7-13(12)18(16)21/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyCNJQLDWWCHMHHE-UHFFFAOYSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one with MolForge

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Related Compounds

10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 2860261
10-(4-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 3113147
3-Phenyl-1,2-indandione 2-oxime
CID 9603857
3-Imino-2-phenyl-1-indanone
CID 2828498
2',5',5'-Trimethyl-4',5'-dihydro-4h-spiro[naphthalene-1,3'-pyrrol]-4-one
CID 3964479
Acetone, DAIH derivative
CID 6507968
2-((1E)-1-methyl-2-azahex-1-enyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
CID 2238111
(1S,3aS,3bS,9aR,9bS,11aS)-1-(2,4-difluorobenzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one
CID 53994300
8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56989253
7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56993600
6-fluoro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124811
6-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57138398

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The IUPAC name of 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one (CID 57202439) is 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one.
What is the SMILES notation for 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The canonical SMILES for 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is CC1=CC(C)(C)N=C2CC3C(=O)c4ccccc4C3CC12.
What is the InChIKey of 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
The InChIKey is CNJQLDWWCHMHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-11-10-19(2,3)20-17-9-16-15(8-14(11)17)12-6-4-5-7-13(12)18(16)21/h4-7,10,14-16H,8-9H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one?
2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one has a molecular weight of 279.38 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one is sourced from PubChem (CID 57202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).