(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one

C11H20N2O2 — CID 118759721

IUPAC(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCOCCN1C(=O)CC[C@@H]2CNCC[C@@H]21
InChIInChI=1S/C11H20N2O2/c1-15-7-6-13-10-4-5-12-8-9(10)2-3-11(13)14/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyGOUTZMOFZQMXPQ-ZJUUUORDSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one

(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 118759721) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID118759721
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCOCCN1C(=O)CC[C@@H]2CNCC[C@@H]21
InChIInChI=1S/C11H20N2O2/c1-15-7-6-13-10-4-5-12-8-9(10)2-3-11(13)14/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyGOUTZMOFZQMXPQ-ZJUUUORDSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-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-(3-ethylsulfanylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 113474138
(4aR,8aS)-1-[2-(3-chlorophenyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 118759259
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
(5aS,9aR)-1-(3-methylbutyl)-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129492986
(5aR,9aR)-1-ethyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129322016
(4aS,8aR)-1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133136774
1-(2-methylpropyl)-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 121199983
1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
CID 117014863
(5R)-5-(2-aminoethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 86333454
(4aR,8aS)-1-(2-methoxyethyl)-6-[(2-methoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 26275442
(4aS,9aS)-4-(2-methoxyethyl)-7-(piperidine-4-carbonyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127016
(4aR,8aS)-1-(2-methoxyethyl)-6-(4-phenylbenzoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 118755495

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 118759721) is (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one is COCCN1C(=O)CC[C@@H]2CNCC[C@@H]21.
What is the InChIKey of (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is GOUTZMOFZQMXPQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-7-6-13-10-4-5-12-8-9(10)2-3-11(13)14/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one?
(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 118759721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).