2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid

C14H12N2O3 — CID 70002879

IUPAC2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid
SMILESCn1c(CC(=O)O)cn2c(cc3ccccc32)c1=O
InChIInChI=1S/C14H12N2O3/c1-15-10(7-13(17)18)8-16-11-5-3-2-4-9(11)6-12(16)14(15)19/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUIPDNCDBCWRFFN-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.42
Rot. Bonds2

About 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid

2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid (PubChem CID 70002879) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid
PubChem CID70002879
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid
SMILESCn1c(CC(=O)O)cn2c(cc3ccccc32)c1=O
InChIInChI=1S/C14H12N2O3/c1-15-10(7-13(17)18)8-16-11-5-3-2-4-9(11)6-12(16)14(15)19/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyUIPDNCDBCWRFFN-UHFFFAOYSA-N
XLogP1.42
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1-methyl-6-methylsulfanylindol-2-yl)acetic acid
CID 83919001
methyl 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetate
CID 163846216
3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
CID 19021643
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
CID 16641429

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid (CID 70002879) is 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid is Cn1c(CC(=O)O)cn2c(cc3ccccc32)c1=O.
What is the InChIKey of 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid?
The InChIKey is UIPDNCDBCWRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-15-10(7-13(17)18)8-16-11-5-3-2-4-9(11)6-12(16)14(15)19/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid?
2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid has a molecular weight of 256.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-oxopyrazino[1,2-a]indol-3-yl)acetic acid is sourced from PubChem (CID 70002879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).