(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one

C9H16N2O2 — CID 131081683

IUPAC(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one
SMILESCCN1CC[C@@H]2COC(=O)N[C@H]2C1
InChIInChI=1S/C9H16N2O2/c1-2-11-4-3-7-6-13-9(12)10-8(7)5-11/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyYURBQZATOQCYTO-SFYZADRCSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds1

About (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one

(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one (PubChem CID 131081683) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one
PubChem CID131081683
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one
SMILESCCN1CC[C@@H]2COC(=O)N[C@H]2C1
InChIInChI=1S/C9H16N2O2/c1-2-11-4-3-7-6-13-9(12)10-8(7)5-11/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyYURBQZATOQCYTO-SFYZADRCSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-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

1-ethyl-3-(oxiran-2-yl)pyrrolidine
CID 102567830
4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one
CID 115011464
4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylic acid
CID 67033891
(4R)-4-ethyl-1,3-oxazolidin-2-one
CID 641503
(4S)-4-ethyl-1,3-oxazolidin-2-one
CID 7832546
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-one
CID 115076939
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
2-[(4aS,8aS)-2-oxo-4,4a,5,7,8,8a-hexahydro-1H-pyrido[4,3-d][1,3]oxazin-6-yl]-N-(4-acetamidophenyl)-2-oxoacetamide
CID 167962401
6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
4-ethyl-5-methyl-1,3-oxazinan-2-one
CID 89458123

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one?
The IUPAC name of (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one (CID 131081683) is (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one.
What is the SMILES notation for (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one?
The canonical SMILES for (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one is CCN1CC[C@@H]2COC(=O)N[C@H]2C1.
What is the InChIKey of (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one?
The InChIKey is YURBQZATOQCYTO-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-11-4-3-7-6-13-9(12)10-8(7)5-11/h7-8H,2-6H2,1H3,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one?
(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one is sourced from PubChem (CID 131081683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).