2-methyl-9H-pyrido[3,4-b]indol-2-ium

C12H11N2+ — CID 3036890

IUPAC2-methyl-9H-pyrido[3,4-b]indol-2-ium
SMILESC[n+]1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3/p+1
InChIKeyUDHBHTHWWOQPBW-UHFFFAOYSA-O
MW183.23 g/mol
LogP2.15
Rot. Bonds

About 2-methyl-9H-pyrido[3,4-b]indol-2-ium

2-methyl-9H-pyrido[3,4-b]indol-2-ium (PubChem CID 3036890) has the molecular formula C12H11N2+ and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-methyl-9H-pyrido[3,4-b]indol-2-ium.

Molecular Properties

Compound Name2-methyl-9H-pyrido[3,4-b]indol-2-ium
PubChem CID3036890
Molecular FormulaC12H11N2+
Molecular Weight183.23 g/mol
Exact Mass183.09
IUPAC Name2-methyl-9H-pyrido[3,4-b]indol-2-ium
SMILESC[n+]1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3/p+1
InChIKeyUDHBHTHWWOQPBW-UHFFFAOYSA-O
XLogP2.15
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9H-pyrido[3,4-b]indol-2-ium?
The IUPAC name of 2-methyl-9H-pyrido[3,4-b]indol-2-ium (CID 3036890) is 2-methyl-9H-pyrido[3,4-b]indol-2-ium.
What is the SMILES notation for 2-methyl-9H-pyrido[3,4-b]indol-2-ium?
The canonical SMILES for 2-methyl-9H-pyrido[3,4-b]indol-2-ium is C[n+]1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-methyl-9H-pyrido[3,4-b]indol-2-ium?
The InChIKey is UDHBHTHWWOQPBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-8H,1H3/p+1.
What are the key properties of 2-methyl-9H-pyrido[3,4-b]indol-2-ium?
2-methyl-9H-pyrido[3,4-b]indol-2-ium has a molecular weight of 183.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9H-pyrido[3,4-b]indol-2-ium is sourced from PubChem (CID 3036890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).