tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate

C16H27NO2 — CID 154612924

IUPACtert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC=CCC1CCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H27NO2/c1-5-6-13-7-8-16(13)9-11-17(12-10-16)14(18)19-15(2,3)4/h5,13H,1,6-12H2,2-4H3
InChIKeyDVDCJMFFIYBSAW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.99
Rot. Bonds2

About tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 154612924) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID154612924
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Nametert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC=CCC1CCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C16H27NO2/c1-5-6-13-7-8-16(13)9-11-17(12-10-16)14(18)19-15(2,3)4/h5,13H,1,6-12H2,2-4H3
InChIKeyDVDCJMFFIYBSAW-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate (CID 154612924) is tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate is C=CCC1CCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is DVDCJMFFIYBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-13-7-8-16(13)9-11-17(12-10-16)14(18)19-15(2,3)4/h5,13H,1,6-12H2,2-4H3.
What are the key properties of tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 154612924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).