2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one

C11H10N2O — CID 172771675

IUPAC2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one
SMILESO=c1cccc2n3c(cnc1-2)CCC3
InChIInChI=1S/C11H10N2O/c14-10-5-1-4-9-11(10)12-7-8-3-2-6-13(8)9/h1,4-5,7H,2-3,6H2
InChIKeyNAQLGWJHYHAECU-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.29
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one

2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one (PubChem CID 172771675) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one
PubChem CID172771675
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one
SMILESO=c1cccc2n3c(cnc1-2)CCC3
InChIInChI=1S/C11H10N2O/c14-10-5-1-4-9-11(10)12-7-8-3-2-6-13(8)9/h1,4-5,7H,2-3,6H2
InChIKeyNAQLGWJHYHAECU-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one (CID 172771675) is 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one is O=c1cccc2n3c(cnc1-2)CCC3.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one?
The InChIKey is NAQLGWJHYHAECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-10-5-1-4-9-11(10)12-7-8-3-2-6-13(8)9/h1,4-5,7H,2-3,6H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one?
2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one has a molecular weight of 186.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 172771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).