methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate

C12H19NO2 — CID 123144510

IUPACmethyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESC=C(C)C1CC2CCC(N2)C1C(=O)OC
InChIInChI=1S/C12H19NO2/c1-7(2)9-6-8-4-5-10(13-8)11(9)12(14)15-3/h8-11,13H,1,4-6H2,2-3H3
InChIKeyUWAVZMDFACBVRG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds2

About methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate

methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate (PubChem CID 123144510) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID123144510
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILESC=C(C)C1CC2CCC(N2)C1C(=O)OC
InChIInChI=1S/C12H19NO2/c1-7(2)9-6-8-4-5-10(13-8)11(9)12(14)15-3/h8-11,13H,1,4-6H2,2-3H3
InChIKeyUWAVZMDFACBVRG-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CID 75525587
methyl (2S)-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10469187
methyl 3-[5-(furan-3-yl)hexa-1,3,5-trien-2-yl]-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123515310
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996
methyl (1R,2S,3S,5S)-3-(4-propylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10613291
methyl 3-(3,5-difluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22896856
methyl (2S)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 14930271
methyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
CID 22336410
methyl (1R,2R,3S,5R)-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 90680153
tert-butyl (1R,2S,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 100575330

Frequently Asked Questions

What is the IUPAC name of methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The IUPAC name of methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate (CID 123144510) is methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate.
What is the SMILES notation for methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The canonical SMILES for methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate is C=C(C)C1CC2CCC(N2)C1C(=O)OC.
What is the InChIKey of methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate?
The InChIKey is UWAVZMDFACBVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(2)9-6-8-4-5-10(13-8)11(9)12(14)15-3/h8-11,13H,1,4-6H2,2-3H3.
What are the key properties of methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate?
methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-2-carboxylate is sourced from PubChem (CID 123144510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).