2-methylbenzo[d]indole

C13H11N — CID 141370258

IUPAC2-methylbenzo[d]indole
SMILESCC1=CC23C=CC=CC2=CC=CC3=N1
InChIInChI=1S/C13H11N/c1-10-9-13-8-3-2-5-11(13)6-4-7-12(13)14-10/h2-9H,1H3
InChIKeyRBZJKSHCFMMWMR-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.95
Rot. Bonds

About 2-methylbenzo[d]indole

2-methylbenzo[d]indole (PubChem CID 141370258) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methylbenzo[d]indole.

Molecular Properties

Compound Name2-methylbenzo[d]indole
PubChem CID141370258
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name2-methylbenzo[d]indole
SMILESCC1=CC23C=CC=CC2=CC=CC3=N1
InChIInChI=1S/C13H11N/c1-10-9-13-8-3-2-5-11(13)6-4-7-12(13)14-10/h2-9H,1H3
InChIKeyRBZJKSHCFMMWMR-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolo[2,3-i]isoquinoline
CID 139263070
Benzo[c]indole
CID 148242567
Bis(azafulvenyl)dimethylmethane
CID 129845376
2,2-Dimethylcarbazole
CID 18471893
2-methyl-5H-indole
CID 18732311
4,4-Dimethylcarbazole
CID 20098137
21-Azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
CID 20512480
2,2,3-Trimethyl-4-propylcarbazole
CID 21480324
2,2,3-Trimethylcarbazole
CID 21880529
Dibenzo[d,f]indole
CID 21886943
3,4,4-Trimethylcarbazole
CID 22250977
2-Methylbenzo[c]indole
CID 44182047

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[d]indole?
The IUPAC name of 2-methylbenzo[d]indole (CID 141370258) is 2-methylbenzo[d]indole.
What is the SMILES notation for 2-methylbenzo[d]indole?
The canonical SMILES for 2-methylbenzo[d]indole is CC1=CC23C=CC=CC2=CC=CC3=N1.
What is the InChIKey of 2-methylbenzo[d]indole?
The InChIKey is RBZJKSHCFMMWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-10-9-13-8-3-2-5-11(13)6-4-7-12(13)14-10/h2-9H,1H3.
What are the key properties of 2-methylbenzo[d]indole?
2-methylbenzo[d]indole has a molecular weight of 181.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[d]indole is sourced from PubChem (CID 141370258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).