9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole

C12H16N2 — CID 146498779

IUPAC9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
SMILESCC12CNCCC1Nc1ccccc12
InChIInChI=1S/C12H16N2/c1-12-8-13-7-6-11(12)14-10-5-3-2-4-9(10)12/h2-5,11,13-14H,6-8H2,1H3
InChIKeyWSQKSWYTFNIHRX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.73
Rot. Bonds

About 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole

9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole (PubChem CID 146498779) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
PubChem CID146498779
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole
SMILESCC12CNCCC1Nc1ccccc12
InChIInChI=1S/C12H16N2/c1-12-8-13-7-6-11(12)14-10-5-3-2-4-9(10)12/h2-5,11,13-14H,6-8H2,1H3
InChIKeyWSQKSWYTFNIHRX-UHFFFAOYSA-N
XLogP1.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole?
The IUPAC name of 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole (CID 146498779) is 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole.
What is the SMILES notation for 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole?
The canonical SMILES for 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole is CC12CNCCC1Nc1ccccc12.
What is the InChIKey of 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole?
The InChIKey is WSQKSWYTFNIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12-8-13-7-6-11(12)14-10-5-3-2-4-9(10)12/h2-5,11,13-14H,6-8H2,1H3.
What are the key properties of 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole?
9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole has a molecular weight of 188.27 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-methyl-1,2,3,4,4a,5-hexahydropyrido[4,3-b]indole is sourced from PubChem (CID 146498779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).