2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole

C13H16N2 — CID 67309399

IUPAC2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)=C1CN(C)CCC1N=2
InChIInChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeySZARNROSAUSIND-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.48
Rot. Bonds

About 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole

2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (PubChem CID 67309399) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
PubChem CID67309399
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2c(c1)=C1CN(C)CCC1N=2
InChIInChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeySZARNROSAUSIND-UHFFFAOYSA-N
XLogP0.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (CID 67309399) is 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is Cc1ccc2c(c1)=C1CN(C)CCC1N=2.
What is the InChIKey of 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The InChIKey is SZARNROSAUSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole has a molecular weight of 200.28 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 67309399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).