tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate

C17H29NO2 — CID 167375766

IUPACtert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC/C=C/C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H29NO2/c1-5-6-7-14-12-17(13-14)8-10-18(11-9-17)15(19)20-16(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6+
InChIKeyFOMMNFJPLVGIBI-VOTSOKGWSA-N
MW279.42 g/mol
LogP4.38
Rot. Bonds2

About tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 167375766) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID167375766
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Nametert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC/C=C/C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H29NO2/c1-5-6-7-14-12-17(13-14)8-10-18(11-9-17)15(19)20-16(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6+
InChIKeyFOMMNFJPLVGIBI-VOTSOKGWSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-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 2-(aminomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 56962135
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 155438113
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate (CID 167375766) is tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate is CC/C=C/C1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is FOMMNFJPLVGIBI-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-14-12-17(13-14)8-10-18(11-9-17)15(19)20-16(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6+.
What are the key properties of tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 279.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(E)-but-1-enyl]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 167375766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).