8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole

C12H14N2 — CID 68519754

IUPAC8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)=C1CNCCC1N=2
InChIInChI=1S/C12H14N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeyDPZHHIOJNDOSRU-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.14
Rot. Bonds

About 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole

8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 68519754) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID68519754
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)=C1CNCCC1N=2
InChIInChI=1S/C12H14N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeyDPZHHIOJNDOSRU-UHFFFAOYSA-N
XLogP0.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole (CID 68519754) is 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)=C1CNCCC1N=2.
What is the InChIKey of 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is DPZHHIOJNDOSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-3,6,12-13H,4-5,7H2,1H3.
What are the key properties of 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole?
8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 186.26 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 68519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).