8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one

C12H14N2O2 — CID 67568661

IUPAC8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc2c(c1)CC1C(=O)NCCN21
InChIInChI=1S/C12H14N2O2/c1-16-9-2-3-10-8(6-9)7-11-12(15)13-4-5-14(10)11/h2-3,6,11H,4-5,7H2,1H3,(H,13,15)
InChIKeyOXSLTLUXYLHNLM-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.56
Rot. Bonds1

About 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one

8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 67568661) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID67568661
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc2c(c1)CC1C(=O)NCCN21
InChIInChI=1S/C12H14N2O2/c1-16-9-2-3-10-8(6-9)7-11-12(15)13-4-5-14(10)11/h2-3,6,11H,4-5,7H2,1H3,(H,13,15)
InChIKeyOXSLTLUXYLHNLM-UHFFFAOYSA-N
XLogP0.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one (CID 67568661) is 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc2c(c1)CC1C(=O)NCCN21.
What is the InChIKey of 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is OXSLTLUXYLHNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-9-2-3-10-8(6-9)7-11-12(15)13-4-5-14(10)11/h2-3,6,11H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one?
8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 218.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4,10,10a-tetrahydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 67568661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).