tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate

C15H25NO3 — CID 170699661

IUPACtert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC=C1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16-10-15(11-16)7-5-12(6-8-15)9-18-4/h9H,5-8,10-11H2,1-4H3
InChIKeyQLGLDEWQIMCMBX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 170699661) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID170699661
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOC=C1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16-10-15(11-16)7-5-12(6-8-15)9-18-4/h9H,5-8,10-11H2,1-4H3
InChIKeyQLGLDEWQIMCMBX-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(methoxymethylidene)azepane-1-carboxylate
CID 70838203
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl 6-(2-oxopropylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 155591898
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 6-(dimethylhydrazinylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 168975531
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 176982512
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate (CID 170699661) is tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate is COC=C1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is QLGLDEWQIMCMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2,3)19-13(17)16-10-15(11-16)7-5-12(6-8-15)9-18-4/h9H,5-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(methoxymethylidene)-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 170699661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).