tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

C15H23NO3 — CID 171951415

IUPACtert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESC=CC=C1CC2COCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-12-9-18-10-13(8-11)16(12)14(17)19-15(2,3)4/h5-6,12-13H,1,7-10H2,2-4H3
InChIKeyLDTMHCHUZJWRKY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171951415) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171951415
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESC=CC=C1CC2COCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-6-11-7-12-9-18-10-13(8-11)16(12)14(17)19-15(2,3)4/h5-6,12-13H,1,7-10H2,2-4H3
InChIKeyLDTMHCHUZJWRKY-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171951415) is tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is C=CC=C1CC2COCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is LDTMHCHUZJWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-11-7-12-9-18-10-13(8-11)16(12)14(17)19-15(2,3)4/h5-6,12-13H,1,7-10H2,2-4H3.
What are the key properties of tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-prop-2-enylidene-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171951415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).