tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate

C21H28N2O4 — CID 11773166

IUPACtert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate
SMILESC=CC1(O)N(C(=O)OC(C)(C)C)c2ccccc2C12CC(=O)N2CCCC
InChIInChI=1S/C21H28N2O4/c1-6-8-13-22-17(24)14-20(22)15-11-9-10-12-16(15)23(21(20,26)7-2)18(25)27-19(3,4)5/h7,9-12,26H,2,6,8,13-14H2,1,3-5H3
InChIKeyXOKVOHZBYSFZNG-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.54
Rot. Bonds4

About tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate

tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate (PubChem CID 11773166) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate
PubChem CID11773166
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Nametert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate
SMILESC=CC1(O)N(C(=O)OC(C)(C)C)c2ccccc2C12CC(=O)N2CCCC
InChIInChI=1S/C21H28N2O4/c1-6-8-13-22-17(24)14-20(22)15-11-9-10-12-16(15)23(21(20,26)7-2)18(25)27-19(3,4)5/h7,9-12,26H,2,6,8,13-14H2,1,3-5H3
InChIKeyXOKVOHZBYSFZNG-UHFFFAOYSA-N
XLogP3.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate 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

tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
diethyl 1-butyl-2-oxo-3H-quinoline-4,4-dicarboxylate
CID 135067401
tert-butyl 2-oxo-2'-prop-2-enoxyspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-3-carboxylate
CID 102501815
1-O-tert-butyl 2-O-(2-oxoethyl) 2-methyl-3H-indole-1,2-dicarboxylate
CID 175207845
tert-butyl (3R)-3-(butylamino)-2-oxo-3-phenylindole-1-carboxylate
CID 122496564
CID 164583595
CID 164583595
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
CID 82372106
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113
tert-butyl 2-methyl-2-(2-oxoethyl)-3H-indole-1-carboxylate;carbon dioxide
CID 158181918
tert-butyl (2Z,2aS,7bR)-2-[(4-bromophenoxy)methylidene]-2a,7b-dimethyl-1H-cyclobuta[b]indole-3-carboxylate
CID 132603170
1-O-tert-butyl 3-O-ethyl 3-ethyl-2-oxo-4-propylquinoxaline-1,3-dicarboxylate
CID 132559511
tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate?
The IUPAC name of tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate (CID 11773166) is tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate is C=CC1(O)N(C(=O)OC(C)(C)C)c2ccccc2C12CC(=O)N2CCCC.
What is the InChIKey of tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate?
The InChIKey is XOKVOHZBYSFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-8-13-22-17(24)14-20(22)15-11-9-10-12-16(15)23(21(20,26)7-2)18(25)27-19(3,4)5/h7,9-12,26H,2,6,8,13-14H2,1,3-5H3.
What are the key properties of tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate?
tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-butyl-2'-ethenyl-2'-hydroxy-4-oxospiro[azetidine-2,3'-indole]-1'-carboxylate is sourced from PubChem (CID 11773166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).