6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde

C13H14N2O2 — CID 84740760

IUPAC6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESCOc1cccc2c(C=O)c3n(c12)CCNC3
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-9-10(8-16)11-7-14-5-6-15(11)13(9)12/h2-4,8,14H,5-7H2,1H3
InChIKeyINYBYNABXZERNJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.57
Rot. Bonds2

About 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde

6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (PubChem CID 84740760) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
PubChem CID84740760
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESCOc1cccc2c(C=O)c3n(c12)CCNC3
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-9-10(8-16)11-7-14-5-6-15(11)13(9)12/h2-4,8,14H,5-7H2,1H3
InChIKeyINYBYNABXZERNJ-UHFFFAOYSA-N
XLogP1.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743259
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 82397497
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
6-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620195
6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82391201
8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96598907
6-ethyl-10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84630615
1-(2-methoxyphenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 141185810
2-formyl-3-methoxybenzonitrile
CID 122401577

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (CID 84740760) is 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is COc1cccc2c(C=O)c3n(c12)CCNC3.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The InChIKey is INYBYNABXZERNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-4-2-3-9-10(8-16)11-7-14-5-6-15(11)13(9)12/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is sourced from PubChem (CID 84740760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).