7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C13H12N2O2 — CID 144714898

IUPAC7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(=O)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C13H12N2O2/c1-8(16)9-2-3-10-7-12-13(17)14-4-5-15(12)11(10)6-9/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyCIYCILPPYLPFPH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.59
Rot. Bonds1

About 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 144714898) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID144714898
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(=O)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C13H12N2O2/c1-8(16)9-2-3-10-7-12-13(17)14-4-5-15(12)11(10)6-9/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyCIYCILPPYLPFPH-UHFFFAOYSA-N
XLogP1.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 144714898) is 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC(=O)c1ccc2cc3n(c2c1)CCNC3=O.
What is the InChIKey of 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is CIYCILPPYLPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8(16)9-2-3-10-7-12-13(17)14-4-5-15(12)11(10)6-9/h2-3,6-7H,4-5H2,1H3,(H,14,17).
What are the key properties of 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 228.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 144714898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).