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

C12H14N2 — CID 68924582

IUPAC2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCN1CCC2N=c3ccccc3=C2C1
InChIInChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,12H,6-8H2,1H3
InChIKeyHCRUMIWPLKGNMH-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.17
Rot. Bonds

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

2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (PubChem CID 68924582) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
PubChem CID68924582
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
SMILESCN1CCC2N=c3ccccc3=C2C1
InChIInChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,12H,6-8H2,1H3
InChIKeyHCRUMIWPLKGNMH-UHFFFAOYSA-N
XLogP0.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole (CID 68924582) is 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is CN1CCC2N=c3ccccc3=C2C1.
What is the InChIKey of 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
The InChIKey is HCRUMIWPLKGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole?
2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole has a molecular weight of 186.26 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 68924582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).