3-methyl-9H-carbazole

C13H11N — CID 20746

IUPAC3-methyl-9H-carbazole
SMILESCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
InChIKeyPHKYYUQQYARDIU-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.63
Rot. Bonds

About 3-methyl-9H-carbazole

3-methyl-9H-carbazole (PubChem CID 20746) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-9H-carbazole.

Molecular Properties

Compound Name3-methyl-9H-carbazole
PubChem CID20746
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name3-methyl-9H-carbazole
SMILESCc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
InChIKeyPHKYYUQQYARDIU-UHFFFAOYSA-N
XLogP3.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9H-carbazole?
The IUPAC name of 3-methyl-9H-carbazole (CID 20746) is 3-methyl-9H-carbazole.
What is the SMILES notation for 3-methyl-9H-carbazole?
The canonical SMILES for 3-methyl-9H-carbazole is Cc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-methyl-9H-carbazole?
The InChIKey is PHKYYUQQYARDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3.
What are the key properties of 3-methyl-9H-carbazole?
3-methyl-9H-carbazole has a molecular weight of 181.24 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9H-carbazole is sourced from PubChem (CID 20746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).