(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione

C18H19N3O4 — CID 170927699

IUPAC(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
SMILESO=C1CC[C@H](N2Cc3cc4c(cc3C2=O)CCC2(CNC2)O4)C(=O)N1
InChIInChI=1S/C18H19N3O4/c22-15-2-1-13(16(23)20-15)21-7-11-6-14-10(5-12(11)17(21)24)3-4-18(25-14)8-19-9-18/h5-6,13,19H,1-4,7-9H2,(H,20,22,23)/t13-/m0/s1
InChIKeySOVWZJXHKXJROI-ZDUSSCGKSA-N
MW341.37 g/mol
LogP0.11
Rot. Bonds1

About (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione

(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione (PubChem CID 170927699) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
PubChem CID170927699
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione
SMILESO=C1CC[C@H](N2Cc3cc4c(cc3C2=O)CCC2(CNC2)O4)C(=O)N1
InChIInChI=1S/C18H19N3O4/c22-15-2-1-13(16(23)20-15)21-7-11-6-14-10(5-12(11)17(21)24)3-4-18(25-14)8-19-9-18/h5-6,13,19H,1-4,7-9H2,(H,20,22,23)/t13-/m0/s1
InChIKeySOVWZJXHKXJROI-ZDUSSCGKSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrrolo[3,4-g][1,4]benzoxazine-2,3'-azetidine]-7-yl)piperidine-2,6-dione
CID 170927648
(3S)-3-(3-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[3,4-g]isoquinolin-2-yl)piperidine-2,6-dione
CID 164919945
3-(7-oxospiro[1,5-dihydrofuro[3,4-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202846
2-(2,6-dioxopiperidin-3-yl)-1-oxo-3,5,6,7-tetrahydrocyclopenta[f]isoindole-6-carbaldehyde
CID 164920140
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
3-[6-(3,7-diazatricyclo[3.3.2.01,5]decan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735016
3-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane
CID 178005351
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
3-(8-oxo-2,3,4,6-tetrahydropyrrolo[3,4-g][1,4]benzoxazin-7-yl)piperidine-2,6-dione
CID 156805959
3-[3-oxo-5-(spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-ylmethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione (CID 170927699) is (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione is O=C1CC[C@H](N2Cc3cc4c(cc3C2=O)CCC2(CNC2)O4)C(=O)N1.
What is the InChIKey of (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione?
The InChIKey is SOVWZJXHKXJROI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-15-2-1-13(16(23)20-15)21-7-11-6-14-10(5-12(11)17(21)24)3-4-18(25-14)8-19-9-18/h5-6,13,19H,1-4,7-9H2,(H,20,22,23)/t13-/m0/s1.
What are the key properties of (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione?
(3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione has a molecular weight of 341.37 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(6-oxospiro[4,8-dihydro-3H-pyrano[3,2-f]isoindole-2,3'-azetidine]-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 170927699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).