(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one

C12H12N2O2 — CID 164631160

IUPAC(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILES[H]/N=C1\NC(=O)O[C@@]12CCCc1ccccc12
InChIInChI=1S/C12H12N2O2/c13-10-12(16-11(15)14-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15)/t12-/m1/s1
InChIKeyREFIFZTZIBUIDV-GFCCVEGCSA-N
MW216.24 g/mol
LogP1.94
Rot. Bonds

About (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one

(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one (PubChem CID 164631160) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one.

Molecular Properties

Compound Name(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one
PubChem CID164631160
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILES[H]/N=C1\NC(=O)O[C@@]12CCCc1ccccc12
InChIInChI=1S/C12H12N2O2/c13-10-12(16-11(15)14-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15)/t12-/m1/s1
InChIKeyREFIFZTZIBUIDV-GFCCVEGCSA-N
XLogP1.94
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one with MolForge

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Related Compounds

spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-2',4'-dione
CID 13053011
2'-iminospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-4'-one
CID 140764521
spiro[2,3-dihydro-1H-naphthalene-4,3'-2-benzofuran]-1'-one
CID 19904308
4'-imino-1'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389883
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056
6,6-diphenyloxan-2-one
CID 14144368
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
(2S,5S)-5-methylspiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-naphthalene]-4-one
CID 14546289
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444

Frequently Asked Questions

What is the IUPAC name of (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one?
The IUPAC name of (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one (CID 164631160) is (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one.
What is the SMILES notation for (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one?
The canonical SMILES for (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one is [H]/N=C1\NC(=O)O[C@@]12CCCc1ccccc12.
What is the InChIKey of (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one?
The InChIKey is REFIFZTZIBUIDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10-12(16-11(15)14-10)7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,13,14,15)/t12-/m1/s1.
What are the key properties of (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one?
(5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-iminospiro[1,3-oxazolidine-5,4'-2,3-dihydro-1H-naphthalene]-2-one is sourced from PubChem (CID 164631160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).