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

C12H11BrN2O2 — CID 10851365

IUPAC8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1c2n(c3ccc(Br)cc13)CCNC2=O
InChIInChI=1S/C12H11BrN2O2/c1-17-11-8-6-7(13)2-3-9(8)15-5-4-14-12(16)10(11)15/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyPDYLCEGCTLKJEC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.16
Rot. Bonds1

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

8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 10851365) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID10851365
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1c2n(c3ccc(Br)cc13)CCNC2=O
InChIInChI=1S/C12H11BrN2O2/c1-17-11-8-6-7(13)2-3-9(8)15-5-4-14-12(16)10(11)15/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyPDYLCEGCTLKJEC-UHFFFAOYSA-N
XLogP2.16
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 10851365) is 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1c2n(c3ccc(Br)cc13)CCNC2=O.
What is the InChIKey of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is PDYLCEGCTLKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11-8-6-7(13)2-3-9(8)15-5-4-14-12(16)10(11)15/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 295.14 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-10-methoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 10851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).