6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C13H14N2O3 — CID 10911822

IUPAC6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(OC)c2c1cc1n2CCNC1=O
InChIInChI=1S/C13H14N2O3/c1-17-10-3-4-11(18-2)12-8(10)7-9-13(16)14-5-6-15(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyVTRUKHXVYMNKOQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds2

About 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 10911822) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID10911822
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(OC)c2c1cc1n2CCNC1=O
InChIInChI=1S/C13H14N2O3/c1-17-10-3-4-11(18-2)12-8(10)7-9-13(16)14-5-6-15(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKeyVTRUKHXVYMNKOQ-UHFFFAOYSA-N
XLogP1.40
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 91365303
8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 158783229
7,8-difluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;9,10-difluoro-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 90036372
3-methyl-5-propan-2-yl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 140536966
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 18520478
8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10851365
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
2-(3-chloro-4-methoxyphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946198
5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 19927834
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 10911822) is 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(OC)c2c1cc1n2CCNC1=O.
What is the InChIKey of 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is VTRUKHXVYMNKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-3-4-11(18-2)12-8(10)7-9-13(16)14-5-6-15(9)12/h3-4,7H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 246.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 10911822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).