2,4-dimethylpyrrolo[3,4-b]indol-1-amine

C12H13N3 — CID 130322165

IUPAC2,4-dimethylpyrrolo[3,4-b]indol-1-amine
SMILESCn1cc2c(c1N)c1ccccc1n2C
InChIInChI=1S/C12H13N3/c1-14-7-10-11(12(14)13)8-5-3-4-6-9(8)15(10)2/h3-7H,13H2,1-2H3
InChIKeyNQUTZBPBBDHASJ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.25
Rot. Bonds

About 2,4-dimethylpyrrolo[3,4-b]indol-1-amine

2,4-dimethylpyrrolo[3,4-b]indol-1-amine (PubChem CID 130322165) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2,4-dimethylpyrrolo[3,4-b]indol-1-amine.

Molecular Properties

Compound Name2,4-dimethylpyrrolo[3,4-b]indol-1-amine
PubChem CID130322165
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2,4-dimethylpyrrolo[3,4-b]indol-1-amine
SMILESCn1cc2c(c1N)c1ccccc1n2C
InChIInChI=1S/C12H13N3/c1-14-7-10-11(12(14)13)8-5-3-4-6-9(8)15(10)2/h3-7H,13H2,1-2H3
InChIKeyNQUTZBPBBDHASJ-UHFFFAOYSA-N
XLogP2.25
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrrolo[3,4-b]indol-1-amine?
The IUPAC name of 2,4-dimethylpyrrolo[3,4-b]indol-1-amine (CID 130322165) is 2,4-dimethylpyrrolo[3,4-b]indol-1-amine.
What is the SMILES notation for 2,4-dimethylpyrrolo[3,4-b]indol-1-amine?
The canonical SMILES for 2,4-dimethylpyrrolo[3,4-b]indol-1-amine is Cn1cc2c(c1N)c1ccccc1n2C.
What is the InChIKey of 2,4-dimethylpyrrolo[3,4-b]indol-1-amine?
The InChIKey is NQUTZBPBBDHASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-14-7-10-11(12(14)13)8-5-3-4-6-9(8)15(10)2/h3-7H,13H2,1-2H3.
What are the key properties of 2,4-dimethylpyrrolo[3,4-b]indol-1-amine?
2,4-dimethylpyrrolo[3,4-b]indol-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrolo[3,4-b]indol-1-amine is sourced from PubChem (CID 130322165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).