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

C12H12N2O — CID 82397497

IUPAC1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESO=Cc1c2n(c3ccccc13)CCNC2
InChIInChI=1S/C12H12N2O/c15-8-10-9-3-1-2-4-11(9)14-6-5-13-7-12(10)14/h1-4,8,13H,5-7H2
InChIKeyPPDPXYWESXWSPS-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.56
Rot. Bonds1

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

1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (PubChem CID 82397497) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
PubChem CID82397497
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESO=Cc1c2n(c3ccccc13)CCNC2
InChIInChI=1S/C12H12N2O/c15-8-10-9-3-1-2-4-11(9)14-6-5-13-7-12(10)14/h1-4,8,13H,5-7H2
InChIKeyPPDPXYWESXWSPS-UHFFFAOYSA-N
XLogP1.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
10-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84621981
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
11-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole
CID 12864595
10-chloro-8-fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84624659
10-carbazol-9-ylanthracene-9-carbaldehyde
CID 134598541
5-ethenyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 68728829
2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde
CID 87374284
10-methyl-8-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84625593
5-ethylsulfonyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 141155328
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
10-bromo-8-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84642518

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (CID 82397497) is 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.
What is the SMILES notation for 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The canonical SMILES for 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is O=Cc1c2n(c3ccccc13)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The InChIKey is PPDPXYWESXWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-8-10-9-3-1-2-4-11(9)14-6-5-13-7-12(10)14/h1-4,8,13H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is sourced from PubChem (CID 82397497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).