6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid

C14H13N3O2 — CID 22595905

IUPAC6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
SMILESCC1CN(C(=O)O)Cc2cc3cccc(C#N)c3n21
InChIInChI=1S/C14H13N3O2/c1-9-7-16(14(18)19)8-12-5-10-3-2-4-11(6-15)13(10)17(9)12/h2-5,9H,7-8H2,1H3,(H,18,19)
InChIKeyJDJYTSUYJGHZBW-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.57
Rot. Bonds

About 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid

6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid (PubChem CID 22595905) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
PubChem CID22595905
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
SMILESCC1CN(C(=O)O)Cc2cc3cccc(C#N)c3n21
InChIInChI=1S/C14H13N3O2/c1-9-7-16(14(18)19)8-12-5-10-3-2-4-11(6-15)13(10)17(9)12/h2-5,9H,7-8H2,1H3,(H,18,19)
InChIKeyJDJYTSUYJGHZBW-UHFFFAOYSA-N
XLogP2.57
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The IUPAC name of 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid (CID 22595905) is 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid.
What is the SMILES notation for 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The canonical SMILES for 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid is CC1CN(C(=O)O)Cc2cc3cccc(C#N)c3n21.
What is the InChIKey of 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
The InChIKey is JDJYTSUYJGHZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-7-16(14(18)19)8-12-5-10-3-2-4-11(6-15)13(10)17(9)12/h2-5,9H,7-8H2,1H3,(H,18,19).
What are the key properties of 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid?
6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid is sourced from PubChem (CID 22595905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).