tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate

C15H19N3O4 — CID 137231142

IUPACtert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)OCc1nc(C=NO)ccc12
InChIInChI=1S/C15H19N3O4/c1-14(2,3)22-13(19)18-8-15(9-18)11-5-4-10(6-16-20)17-12(11)7-21-15/h4-6,20H,7-9H2,1-3H3
InChIKeyIEOZEZSWBXYATF-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.87
Rot. Bonds1

About tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate

tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate (PubChem CID 137231142) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate
PubChem CID137231142
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nametert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)OCc1nc(C=NO)ccc12
InChIInChI=1S/C15H19N3O4/c1-14(2,3)22-13(19)18-8-15(9-18)11-5-4-10(6-16-20)17-12(11)7-21-15/h4-6,20H,7-9H2,1-3H3
InChIKeyIEOZEZSWBXYATF-UHFFFAOYSA-N
XLogP1.87
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-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 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 6-carbonochloridimidoylspiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 142532270
tert-butyl 6-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-2-enoyl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 118252743
tert-butyl 3-hydroxy-3-[5-[(E)-hydroxyiminomethyl]-2-pyridinyl]azetidine-1-carboxylate
CID 58079778
tert-butyl 6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 134500260
tert-butyl 6-[5-(3,5-dichlorophenyl)-5-methyl-4H-1,2-thiazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 161040163
tert-butyl 6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-methyl-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 118198881
tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
tert-butyl 6-(2-oxopropylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 155591898
tert-butyl 6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-carboxylate
CID 66555342
tert-butyl 4-[5-[(Z)-hydroxyiminomethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 124502961
tert-butyl 6-[(E)-hydroxyiminomethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170578230

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate (CID 137231142) is tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)OCc1nc(C=NO)ccc12.
What is the InChIKey of tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate?
The InChIKey is IEOZEZSWBXYATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-14(2,3)22-13(19)18-8-15(9-18)11-5-4-10(6-16-20)17-12(11)7-21-15/h4-6,20H,7-9H2,1-3H3.
What are the key properties of tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate?
tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxyiminomethyl)spiro[7H-furo[3,4-b]pyridine-5,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 137231142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).