methyl pyrazino[1,2-a]indole-3-carboxylate

C13H10N2O2 — CID 145445802

IUPACmethyl pyrazino[1,2-a]indole-3-carboxylate
SMILESCOC(=O)c1cn2c(cn1)cc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)11-8-15-10(7-14-11)6-9-4-2-3-5-12(9)15/h2-8H,1H3
InChIKeyIHNRSYZWURZDPR-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.27
Rot. Bonds1

About methyl pyrazino[1,2-a]indole-3-carboxylate

methyl pyrazino[1,2-a]indole-3-carboxylate (PubChem CID 145445802) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl pyrazino[1,2-a]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl pyrazino[1,2-a]indole-3-carboxylate
PubChem CID145445802
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Namemethyl pyrazino[1,2-a]indole-3-carboxylate
SMILESCOC(=O)c1cn2c(cn1)cc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)11-8-15-10(7-14-11)6-9-4-2-3-5-12(9)15/h2-8H,1H3
InChIKeyIHNRSYZWURZDPR-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
methyl 5-hydroxyisoquinoline-3-carboxylate
CID 131582448
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
methyl 3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 136961324
pyrido[1,2-a]indol-7-ol
CID 91578458
methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate
CID 11523319
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
N-imidazo[1,2-a]quinolin-4-ylacetamide
CID 102085610

Frequently Asked Questions

What is the IUPAC name of methyl pyrazino[1,2-a]indole-3-carboxylate?
The IUPAC name of methyl pyrazino[1,2-a]indole-3-carboxylate (CID 145445802) is methyl pyrazino[1,2-a]indole-3-carboxylate.
What is the SMILES notation for methyl pyrazino[1,2-a]indole-3-carboxylate?
The canonical SMILES for methyl pyrazino[1,2-a]indole-3-carboxylate is COC(=O)c1cn2c(cn1)cc1ccccc12.
What is the InChIKey of methyl pyrazino[1,2-a]indole-3-carboxylate?
The InChIKey is IHNRSYZWURZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)11-8-15-10(7-14-11)6-9-4-2-3-5-12(9)15/h2-8H,1H3.
What are the key properties of methyl pyrazino[1,2-a]indole-3-carboxylate?
methyl pyrazino[1,2-a]indole-3-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl pyrazino[1,2-a]indole-3-carboxylate is sourced from PubChem (CID 145445802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).