6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one

C13H12N2O — CID 115027881

IUPAC6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
SMILESCc1ccc2c(c1)c1cc(=O)[nH]cc1n2C
InChIInChI=1S/C13H12N2O/c1-8-3-4-11-9(5-8)10-6-13(16)14-7-12(10)15(11)2/h3-7H,1-2H3,(H,14,16)
InChIKeySPRISJHGBWQJAH-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.33
Rot. Bonds

About 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one

6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one (PubChem CID 115027881) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
PubChem CID115027881
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
SMILESCc1ccc2c(c1)c1cc(=O)[nH]cc1n2C
InChIInChI=1S/C13H12N2O/c1-8-3-4-11-9(5-8)10-6-13(16)14-7-12(10)15(11)2/h3-7H,1-2H3,(H,14,16)
InChIKeySPRISJHGBWQJAH-UHFFFAOYSA-N
XLogP2.33
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-9-methyl-2H-pyrido[3,4-b]indol-3-one
CID 115028655
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
3,6-bis(deuteriomethyl)-9-methylcarbazole
CID 59270885
1-(3-hydroxy-1,5-dimethylindol-2-yl)ethanone
CID 12511328
3,9-dimethyl-6-phenylcarbazole
CID 59499447
7,10-dimethyl-3,4-dihydro-2H-azepino[3,4-b]indole-1,5-dione
CID 170858085
1,2,5-trimethylindole-3-thiol
CID 142076478
3-ethenyl-1,2,6-trimethylquinolin-4-one
CID 126606942
2-isocyano-6,9-dimethylcarbazole
CID 158421593
3-methyl-1,5-dihydroimidazo[4,5-c]pyridine-2,6-dione
CID 154953953
5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 10469450

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The IUPAC name of 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one (CID 115027881) is 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one.
What is the SMILES notation for 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The canonical SMILES for 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one is Cc1ccc2c(c1)c1cc(=O)[nH]cc1n2C.
What is the InChIKey of 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
The InChIKey is SPRISJHGBWQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-3-4-11-9(5-8)10-6-13(16)14-7-12(10)15(11)2/h3-7H,1-2H3,(H,14,16).
What are the key properties of 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one?
6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one has a molecular weight of 212.25 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one is sourced from PubChem (CID 115027881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).