methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

C13H14N2O2 — CID 110646938

IUPACmethyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCOC(=O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)14-6-7-15-11(9-14)8-10-4-2-3-5-12(10)15/h2-5,8H,6-7,9H2,1H3
InChIKeyXATRFHOTYARBKA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds

About methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate

methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (PubChem CID 110646938) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
PubChem CID110646938
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
SMILESCOC(=O)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)14-6-7-15-11(9-14)8-10-4-2-3-5-12(10)15/h2-5,8H,6-7,9H2,1H3
InChIKeyXATRFHOTYARBKA-UHFFFAOYSA-N
XLogP2.22
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
CID 69422557
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110646946
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
CID 110646888
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 86581408
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110646913
N-[2-(diethylaminomethyl)phenyl]-2-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-oxoacetamide
CID 166216577
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
CID 166246706
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methylpiperazin-1-yl)butan-1-one
CID 86581410
5-(3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110646920
N-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-2-carboxamide
CID 167747831
2-(4-benzylpiperidin-1-yl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 86581556

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The IUPAC name of methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate (CID 110646938) is methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate.
What is the SMILES notation for methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The canonical SMILES for methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is COC(=O)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
The InChIKey is XATRFHOTYARBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)14-6-7-15-11(9-14)8-10-4-2-3-5-12(10)15/h2-5,8H,6-7,9H2,1H3.
What are the key properties of methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate?
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate is sourced from PubChem (CID 110646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).