9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C12H13ClN2O2 — CID 84742119

IUPAC9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCOc1ccc(Cl)c2c1N1C(=O)CNCC1C2
InChIInChI=1S/C12H13ClN2O2/c1-17-10-3-2-9(13)8-4-7-5-14-6-11(16)15(7)12(8)10/h2-3,7,14H,4-6H2,1H3
InChIKeyCQAOTQGWAXKIQV-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.21
Rot. Bonds1

About 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 84742119) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID84742119
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCOc1ccc(Cl)c2c1N1C(=O)CNCC1C2
InChIInChI=1S/C12H13ClN2O2/c1-17-10-3-2-9(13)8-4-7-5-14-6-11(16)15(7)12(8)10/h2-3,7,14H,4-6H2,1H3
InChIKeyCQAOTQGWAXKIQV-UHFFFAOYSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one with MolForge

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Related Compounds

10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84634503
1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
CID 84802715
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
7-methoxy-6,10-dimethyl-1,2,3,4,4a,10b-hexahydrobenzo[c][2,7]naphthyridin-5-one
CID 84638179
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
7-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742973
7-chloro-4-methoxy-1-methyl-3-(methylamino)-3H-indol-2-one
CID 82497169
1-(4-chloro-3-methoxyphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107623442
4-chloro-7-methoxyisoindole-1,3-dione
CID 86201786
1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
2-(2,3-dichloro-6-methoxyphenyl)-7-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 175799748
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225

Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 84742119) is 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is COc1ccc(Cl)c2c1N1C(=O)CNCC1C2.
What is the InChIKey of 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is CQAOTQGWAXKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-17-10-3-2-9(13)8-4-7-5-14-6-11(16)15(7)12(8)10/h2-3,7,14H,4-6H2,1H3.
What are the key properties of 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 252.70 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-methoxy-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 84742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).