8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one

C13H12N2O — CID 115027878

IUPAC8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one
SMILESCc1cccc2c3cc[nH]c(=O)c3n(C)c12
InChIInChI=1S/C13H12N2O/c1-8-4-3-5-9-10-6-7-14-13(16)12(10)15(2)11(8)9/h3-7H,1-2H3,(H,14,16)
InChIKeyLVTGNRCXUQGUKL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.33
Rot. Bonds

About 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one

8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 115027878) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID115027878
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one
SMILESCc1cccc2c3cc[nH]c(=O)c3n(C)c12
InChIInChI=1S/C13H12N2O/c1-8-4-3-5-9-10-6-7-14-13(16)12(10)15(2)11(8)9/h3-7H,1-2H3,(H,14,16)
InChIKeyLVTGNRCXUQGUKL-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

8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
4,5,10-trimethylphenanthridin-6-one
CID 132522082
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593
1,8,9-trimethylpyrido[3,4-b]indole
CID 139321936
1,3-dimethyl-6H-pyrazolo[5,4-c]pyridin-7-one
CID 178149045
2-chloro-1,3,7-trimethylindole
CID 117127854
1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
5-amino-2H-isoquinolin-1-one
CID 2072
ethane;8-methyl-2H-isoquinolin-1-one
CID 142940495
8,9-dimethyl-2,3-dihydro-1H-carbazol-4-one
CID 84739991
1,8-dimethyl-2,3-diphenylquinolin-4-one
CID 166440034
3-methyl-5H-[1,3]oxazolo[4,5-c]pyridine-2,4-dione
CID 154341534

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one (CID 115027878) is 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one is Cc1cccc2c3cc[nH]c(=O)c3n(C)c12.
What is the InChIKey of 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is LVTGNRCXUQGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-4-3-5-9-10-6-7-14-13(16)12(10)15(2)11(8)9/h3-7H,1-2H3,(H,14,16).
What are the key properties of 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one?
8,9-dimethyl-2H-pyrido[3,4-b]indol-1-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 8,9-dimethyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 115027878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).