1,1-dimethylpyrido[4,3-b]indole

C13H12N2 — CID 141391468

IUPAC1,1-dimethylpyrido[4,3-b]indole
SMILESCC1(C)N=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H12N2/c1-13(2)12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8H,1-2H3
InChIKeyOIWRRTJMXGNABL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.22
Rot. Bonds

About 1,1-dimethylpyrido[4,3-b]indole

1,1-dimethylpyrido[4,3-b]indole (PubChem CID 141391468) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,1-dimethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name1,1-dimethylpyrido[4,3-b]indole
PubChem CID141391468
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1,1-dimethylpyrido[4,3-b]indole
SMILESCC1(C)N=CC=C2N=c3ccccc3=C21
InChIInChI=1S/C13H12N2/c1-13(2)12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8H,1-2H3
InChIKeyOIWRRTJMXGNABL-UHFFFAOYSA-N
XLogP1.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-pyridin-3-ylpyrido[4,3-b]indole
CID 87574092
1H-pyrido[4,3-b]indole;hydrochloride
CID 21499446
8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1,3,5,7,10,12,14,16,18,20,22,25,27,29-tetradecaene-9,24-dithione
CID 85284439
(4aZ,6E,10aZ,12E)-6,12-dichlorobenzo[c][1,5]benzodiazocine
CID 15961548
pyrrolo[3,4-b]indole;hydrate
CID 69194847
3-methyl-2-methylideneindole
CID 91485891
6H-benzo[a]carbazole
CID 141017182
3H-pyrazino[2,3-b]indole
CID 67851473
3-methyl-3,4-dihydrocarbazol-2-one
CID 174479793
3-methoxyindol-2-one
CID 141311287
2-bromo-2,3-dimethylindole
CID 68718949
(4aZ,6E,10aZ,12Z)-6-chlorobenzo[c][1]benzazocine
CID 25035203

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpyrido[4,3-b]indole?
The IUPAC name of 1,1-dimethylpyrido[4,3-b]indole (CID 141391468) is 1,1-dimethylpyrido[4,3-b]indole.
What is the SMILES notation for 1,1-dimethylpyrido[4,3-b]indole?
The canonical SMILES for 1,1-dimethylpyrido[4,3-b]indole is CC1(C)N=CC=C2N=c3ccccc3=C21.
What is the InChIKey of 1,1-dimethylpyrido[4,3-b]indole?
The InChIKey is OIWRRTJMXGNABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-13(2)12-9-5-3-4-6-10(9)15-11(12)7-8-14-13/h3-8H,1-2H3.
What are the key properties of 1,1-dimethylpyrido[4,3-b]indole?
1,1-dimethylpyrido[4,3-b]indole has a molecular weight of 196.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpyrido[4,3-b]indole is sourced from PubChem (CID 141391468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).