2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide

C13H21N3O2 — CID 98283702

IUPAC2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide
SMILESO=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)NC1CC1
InChIInChI=1S/C13H21N3O2/c17-12(14-8-5-6-8)7-11-13(18)16-10-4-2-1-3-9(10)15-11/h8-11,15H,1-7H2,(H,14,17)(H,16,18)/t9-,10+,11+/m1/s1
InChIKeyNJUAPHDAYSTOMW-VWYCJHECSA-N
MW251.33 g/mol
LogP0.05
Rot. Bonds3

About 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide

2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide (PubChem CID 98283702) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide
PubChem CID98283702
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide
SMILESO=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)NC1CC1
InChIInChI=1S/C13H21N3O2/c17-12(14-8-5-6-8)7-11-13(18)16-10-4-2-1-3-9(10)15-11/h8-11,15H,1-7H2,(H,14,17)(H,16,18)/t9-,10+,11+/m1/s1
InChIKeyNJUAPHDAYSTOMW-VWYCJHECSA-N
XLogP0.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide 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

2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-methylacetamide
CID 97183703
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2-methoxyethyl)acetamide
CID 97183717
2-[(2R,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-phenylacetamide
CID 11883430
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-phenylacetamide
CID 1214361
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 6546718
(3S,4aS,8aR)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 2029382
ethyl 2-[(2R,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]acetate
CID 7298248
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 41385171
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,3-dichlorophenyl)acetamide
CID 40975642
2-[(2R,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(3-fluorophenyl)acetamide
CID 51713901
propan-2-yl 2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetate
CID 4690414
2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11883474

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide (CID 98283702) is 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide is O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)NC1CC1.
What is the InChIKey of 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide?
The InChIKey is NJUAPHDAYSTOMW-VWYCJHECSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12(14-8-5-6-8)7-11-13(18)16-10-4-2-1-3-9(10)15-11/h8-11,15H,1-7H2,(H,14,17)(H,16,18)/t9-,10+,11+/m1/s1.
What are the key properties of 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide?
2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 98283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).