tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane

C19H26N2O3 — CID 91371227

IUPACtert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC=CC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N2O3.C2H6/c1-16(2,3)22-15(21)19-10-6-9-17(11-19)12-7-4-5-8-13(12)18-14(17)20;1-2/h4-9H,10-11H2,1-3H3,(H,18,20);1-2H3
InChIKeyBCHHIJNPARRGBF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.71
Rot. Bonds

About tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane

tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane (PubChem CID 91371227) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane
PubChem CID91371227
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CC=CC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H20N2O3.C2H6/c1-16(2,3)22-15(21)19-10-6-9-17(11-19)12-7-4-5-8-13(12)18-14(17)20;1-2/h4-9H,10-11H2,1-3H3,(H,18,20);1-2H3
InChIKeyBCHHIJNPARRGBF-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
tert-butyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 122220537
(2'S,3S)-2'-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 123634212
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
tert-butyl 2,5-dihydropyrrole-1-carboxylate;ethane
CID 143412058
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl 3,6-dihydro-1H-2-benzazocine-2-carboxylate
CID 171146540
tert-butyl (4aS)-6-oxo-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepine-3-carboxylate
CID 67247695
tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 124556035
tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 97111335

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane?
The IUPAC name of tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane (CID 91371227) is tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CC=CC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane?
The InChIKey is BCHHIJNPARRGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.C2H6/c1-16(2,3)22-15(21)19-10-6-9-17(11-19)12-7-4-5-8-13(12)18-14(17)20;1-2/h4-9H,10-11H2,1-3H3,(H,18,20);1-2H3.
What are the key properties of tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane?
tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane has a molecular weight of 330.43 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxospiro[1H-indole-3,3'-2,6-dihydropyridine]-1'-carboxylate;ethane is sourced from PubChem (CID 91371227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).