8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate

C11H17NO2 — CID 164845118

IUPAC8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC(C1)N2
InChIInChI=1S/C11H17NO2/c1-7(2)11(13)14-10-5-8-3-4-9(6-10)12-8/h8-10,12H,1,3-6H2,2H3
InChIKeyKGHAPJGFIFDEEL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate

8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate (PubChem CID 164845118) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
PubChem CID164845118
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CCC(C1)N2
InChIInChI=1S/C11H17NO2/c1-7(2)11(13)14-10-5-8-3-4-9(6-10)12-8/h8-10,12H,1,3-6H2,2H3
InChIKeyKGHAPJGFIFDEEL-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
CID 174980293
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 118603756
[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 141303889
[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230504
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
CID 58980511

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate (CID 164845118) is 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate?
The InChIKey is KGHAPJGFIFDEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)11(13)14-10-5-8-3-4-9(6-10)12-8/h8-10,12H,1,3-6H2,2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate?
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate is sourced from PubChem (CID 164845118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).