2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one

C11H12N2O — CID 115107523

IUPAC2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3ccccc3CC2CN1
InChIInChI=1S/C11H12N2O/c14-11-7-13-9(6-12-11)5-8-3-1-2-4-10(8)13/h1-4,9H,5-7H2,(H,12,14)
InChIKeyNKGUXPKMRGVYCH-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.55
Rot. Bonds

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

2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (PubChem CID 115107523) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.

Molecular Properties

Compound Name2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
PubChem CID115107523
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
SMILESO=C1CN2c3ccccc3CC2CN1
InChIInChI=1S/C11H12N2O/c14-11-7-13-9(6-12-11)5-8-3-1-2-4-10(8)13/h1-4,9H,5-7H2,(H,12,14)
InChIKeyNKGUXPKMRGVYCH-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The IUPAC name of 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one (CID 115107523) is 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one.
What is the SMILES notation for 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The canonical SMILES for 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is O=C1CN2c3ccccc3CC2CN1.
What is the InChIKey of 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
The InChIKey is NKGUXPKMRGVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-7-13-9(6-12-11)5-8-3-1-2-4-10(8)13/h1-4,9H,5-7H2,(H,12,14).
What are the key properties of 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one?
2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one has a molecular weight of 188.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one is sourced from PubChem (CID 115107523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).