2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

C11H12N2O — CID 3127917

IUPAC2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C1Nc2ccccc2N2CCCC12
InChIInChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14)
InChIKeyGWPNDQCLPKQEPD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.61
Rot. Bonds

About 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 3127917) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID3127917
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C1Nc2ccccc2N2CCCC12
InChIInChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14)
InChIKeyGWPNDQCLPKQEPD-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (CID 3127917) is 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is O=C1Nc2ccccc2N2CCCC12.
What is the InChIKey of 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is GWPNDQCLPKQEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14).
What are the key properties of 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 3127917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).