8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole

C12H12N2 — CID 121381180

IUPAC8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CNC=C3
InChIInChI=1S/C12H12N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-6,13-14H,7H2,1H3
InChIKeyTUXVLCGPMIDCHD-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.55
Rot. Bonds

About 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole

8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 121381180) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole
PubChem CID121381180
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CNC=C3
InChIInChI=1S/C12H12N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-6,13-14H,7H2,1H3
InChIKeyTUXVLCGPMIDCHD-UHFFFAOYSA-N
XLogP2.55
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole (CID 121381180) is 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2[nH]c3c(c2c1)CNC=C3.
What is the InChIKey of 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is TUXVLCGPMIDCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11/h2-6,13-14H,7H2,1H3.
What are the key properties of 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole?
8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 184.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,5-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 121381180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).