(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

C11H11ClN2O — CID 124511746

IUPAC(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C1Nc2cccc(Cl)c2N2CCC[C@@H]12
InChIInChI=1S/C11H11ClN2O/c12-7-3-1-4-8-10(7)14-6-2-5-9(14)11(15)13-8/h1,3-4,9H,2,5-6H2,(H,13,15)/t9-/m0/s1
InChIKeyQNNGFGRLQPPVFO-VIFPVBQESA-N
MW222.67 g/mol
LogP2.26
Rot. Bonds

About (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 124511746) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID124511746
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=C1Nc2cccc(Cl)c2N2CCC[C@@H]12
InChIInChI=1S/C11H11ClN2O/c12-7-3-1-4-8-10(7)14-6-2-5-9(14)11(15)13-8/h1,3-4,9H,2,5-6H2,(H,13,15)/t9-/m0/s1
InChIKeyQNNGFGRLQPPVFO-VIFPVBQESA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-1-carboxylic acid
CID 112577448
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
1,2-difluoro-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoxalin-6-one
CID 79296592
(6aR)-2-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 122561251
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
1-methyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione;propane
CID 143528648
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
7-iodo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 79290980
(10S)-4-methyl-1,4,8-triazatricyclo[8.3.0.03,7]trideca-3(7),5-diene-2,9-dione
CID 11447312
4-methyl-1,3,8-triazatricyclo[8.5.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81136783
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670

Frequently Asked Questions

What is the IUPAC name of (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one (CID 124511746) is (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is O=C1Nc2cccc(Cl)c2N2CCC[C@@H]12.
What is the InChIKey of (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is QNNGFGRLQPPVFO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-7-3-1-4-8-10(7)14-6-2-5-9(14)11(15)13-8/h1,3-4,9H,2,5-6H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one?
(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 222.67 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 124511746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).