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

C12H18Cl2N2 — CID 146675581

IUPAC5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
SMILESCN1c2ccccc2C2CNCCC21.Cl.Cl
InChIInChI=1S/C12H16N2.2ClH/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;;/h2-5,10,12-13H,6-8H2,1H3;2*1H
InChIKeyOOPPMYCRSZQCBW-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.43
Rot. Bonds

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

5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride (PubChem CID 146675581) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
PubChem CID146675581
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
SMILESCN1c2ccccc2C2CNCCC21.Cl.Cl
InChIInChI=1S/C12H16N2.2ClH/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;;/h2-5,10,12-13H,6-8H2,1H3;2*1H
InChIKeyOOPPMYCRSZQCBW-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The IUPAC name of 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride (CID 146675581) is 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride.
What is the SMILES notation for 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The canonical SMILES for 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride is CN1c2ccccc2C2CNCCC21.Cl.Cl.
What is the InChIKey of 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
The InChIKey is OOPPMYCRSZQCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.2ClH/c1-14-11-5-3-2-4-9(11)10-8-13-7-6-12(10)14;;/h2-5,10,12-13H,6-8H2,1H3;2*1H.
What are the key properties of 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride?
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride has a molecular weight of 261.20 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride is sourced from PubChem (CID 146675581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).