tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C15H23NO3 — CID 19751355

IUPACtert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESCC(=O)C1=C(C)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-9-8-11-6-7-12(13(9)10(2)17)16(11)14(18)19-15(3,4)5/h11-12H,6-8H2,1-5H3
InChIKeyRHTBBRXUWZEPCG-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (PubChem CID 19751355) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
PubChem CID19751355
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
SMILESCC(=O)C1=C(C)CC2CCC1N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-9-8-11-6-7-12(13(9)10(2)17)16(11)14(18)19-15(3,4)5/h11-12H,6-8H2,1-5H3
InChIKeyRHTBBRXUWZEPCG-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The IUPAC name of tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate (CID 19751355) is tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The canonical SMILES for tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is CC(=O)C1=C(C)CC2CCC1N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
The InChIKey is RHTBBRXUWZEPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-8-11-6-7-12(13(9)10(2)17)16(11)14(18)19-15(3,4)5/h11-12H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate?
tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetyl-3-methyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate is sourced from PubChem (CID 19751355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).