2,3,4-trimethylpyrrolo[3,4-b]indole

C13H14N2 — CID 157487086

IUPAC2,3,4-trimethylpyrrolo[3,4-b]indole
SMILESCc1c2c(cn1C)c1ccccc1n2C
InChIInChI=1S/C13H14N2/c1-9-13-11(8-14(9)2)10-6-4-5-7-12(10)15(13)3/h4-8H,1-3H3
InChIKeyZVBUSESVZFXXAP-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.98
Rot. Bonds

About 2,3,4-trimethylpyrrolo[3,4-b]indole

2,3,4-trimethylpyrrolo[3,4-b]indole (PubChem CID 157487086) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,3,4-trimethylpyrrolo[3,4-b]indole.

Molecular Properties

Compound Name2,3,4-trimethylpyrrolo[3,4-b]indole
PubChem CID157487086
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2,3,4-trimethylpyrrolo[3,4-b]indole
SMILESCc1c2c(cn1C)c1ccccc1n2C
InChIInChI=1S/C13H14N2/c1-9-13-11(8-14(9)2)10-6-4-5-7-12(10)15(13)3/h4-8H,1-3H3
InChIKeyZVBUSESVZFXXAP-UHFFFAOYSA-N
XLogP2.98
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,11-dimethylbenzo[a]carbazole
CID 58410472
ethane;bis(9-methylcarbazole)
CID 159710949
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;1,2,9-trimethylcarbazole
CID 160838686
ethane;1,2,3-trimethylindole
CID 91590745
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
1-fluoro-9-methylcarbazole
CID 139447921
3-iodo-1,2-dimethylindole
CID 19093282
ethane;9-methylcarbazol-1-amine
CID 142426342
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpyrrolo[3,4-b]indole?
The IUPAC name of 2,3,4-trimethylpyrrolo[3,4-b]indole (CID 157487086) is 2,3,4-trimethylpyrrolo[3,4-b]indole.
What is the SMILES notation for 2,3,4-trimethylpyrrolo[3,4-b]indole?
The canonical SMILES for 2,3,4-trimethylpyrrolo[3,4-b]indole is Cc1c2c(cn1C)c1ccccc1n2C.
What is the InChIKey of 2,3,4-trimethylpyrrolo[3,4-b]indole?
The InChIKey is ZVBUSESVZFXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-13-11(8-14(9)2)10-6-4-5-7-12(10)15(13)3/h4-8H,1-3H3.
What are the key properties of 2,3,4-trimethylpyrrolo[3,4-b]indole?
2,3,4-trimethylpyrrolo[3,4-b]indole has a molecular weight of 198.27 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpyrrolo[3,4-b]indole is sourced from PubChem (CID 157487086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).