(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C12H10Cl2N2O — CID 68890897

IUPAC(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21
InChIInChI=1S/C12H10Cl2N2O/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyMBAQTYKWXUVOJG-ZCFIWIBFSA-N
MW269.13 g/mol
LogP3.25
Rot. Bonds

About (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 68890897) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID68890897
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESC[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21
InChIInChI=1S/C12H10Cl2N2O/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyMBAQTYKWXUVOJG-ZCFIWIBFSA-N
XLogP3.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 68890897) is (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C[C@@H]1CNC(=O)c2cc3cc(Cl)c(Cl)cc3n21.
What is the InChIKey of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is MBAQTYKWXUVOJG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-6-5-15-12(17)11-3-7-2-8(13)9(14)4-10(7)16(6)11/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1.
What are the key properties of (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
(4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 269.13 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7,8-dichloro-4-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 68890897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).