(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

C13H22N2O — CID 102434737

IUPAC(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
SMILESO=C1N[C@@H]2CCCC[C@H]2N[C@@H]1C1CCCC1
InChIInChI=1S/C13H22N2O/c16-13-12(9-5-1-2-6-9)14-10-7-3-4-8-11(10)15-13/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12-/m1/s1
InChIKeyGIWZYGNRXDLXJG-IJLUTSLNSA-N
MW222.33 g/mol
LogP1.58
Rot. Bonds1

About (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one (PubChem CID 102434737) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
PubChem CID102434737
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
SMILESO=C1N[C@@H]2CCCC[C@H]2N[C@@H]1C1CCCC1
InChIInChI=1S/C13H22N2O/c16-13-12(9-5-1-2-6-9)14-10-7-3-4-8-11(10)15-13/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12-/m1/s1
InChIKeyGIWZYGNRXDLXJG-IJLUTSLNSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The IUPAC name of (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one (CID 102434737) is (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The canonical SMILES for (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one is O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1C1CCCC1.
What is the InChIKey of (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The InChIKey is GIWZYGNRXDLXJG-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13-12(9-5-1-2-6-9)14-10-7-3-4-8-11(10)15-13/h9-12,14H,1-8H2,(H,15,16)/t10-,11-,12-/m1/s1.
What are the key properties of (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 102434737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).