3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione

C15H23NO3 — CID 74510191

IUPAC3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione
SMILESCC(C)N1C(=O)OC2C(CCC3CCCCC32)C1=O
InChIInChI=1S/C15H23NO3/c1-9(2)16-14(17)12-8-7-10-5-3-4-6-11(10)13(12)19-15(16)18/h9-13H,3-8H2,1-2H3
InChIKeyPSCHWVRRELZICF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.96
Rot. Bonds1

About 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione

3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione (PubChem CID 74510191) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione
PubChem CID74510191
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione
SMILESCC(C)N1C(=O)OC2C(CCC3CCCCC32)C1=O
InChIInChI=1S/C15H23NO3/c1-9(2)16-14(17)12-8-7-10-5-3-4-6-11(10)13(12)19-15(16)18/h9-13H,3-8H2,1-2H3
InChIKeyPSCHWVRRELZICF-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione 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

(3aR,6aS,9aR,9bS)-3-methylidene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 101146780
3-[5-(4-hydroxy-2-oxo-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-3-yl)penta-2,4-dienylidene]-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromene-2,4-dione
CID 140536618
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 6581467
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
3-[5-(2,4-dioxo-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-3-ylidene)penta-1,3-dienyl]-2-oxo-4a,5,6,6a,7,8,9,10,10a,10b-decahydrobenzo[h]chromen-4-olate
CID 140536617
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid
CID 7007237
(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
CID 156740925
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
(3S)-3-piperidin-4-yl-1-propan-2-ylazepan-2-one
CID 95804137
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 11929659
3,3a,4,5,6,7,7a,7b-octahydro-1aH-naphtho[1,2-b]oxiren-2-one
CID 130037537
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethanone
CID 177221987

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione (CID 74510191) is 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione is CC(C)N1C(=O)OC2C(CCC3CCCCC32)C1=O.
What is the InChIKey of 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione?
The InChIKey is PSCHWVRRELZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)16-14(17)12-8-7-10-5-3-4-6-11(10)13(12)19-15(16)18/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione?
3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione has a molecular weight of 265.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4a,5,6,6a,7,8,9,10,10a,10b-decahydronaphtho[2,1-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 74510191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).