[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

C12H15NO2 — CID 102070522

IUPAC[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C[C@H]2C#N
InChIInChI=1S/C12H15NO2/c1-7(2)12(14)15-11-5-8-3-9(11)4-10(8)6-13/h8-11H,1,3-5H2,2H3/t8?,9?,10-,11?/m0/s1
InChIKeyMXEJXGXAGGYTMV-MWJCJQSMSA-N
MW205.26 g/mol
LogP2.04
Rot. Bonds2

About [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (PubChem CID 102070522) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
PubChem CID102070522
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C[C@H]2C#N
InChIInChI=1S/C12H15NO2/c1-7(2)12(14)15-11-5-8-3-9(11)4-10(8)6-13/h8-11H,1,3-5H2,2H3/t8?,9?,10-,11?/m0/s1
InChIKeyMXEJXGXAGGYTMV-MWJCJQSMSA-N
XLogP2.04
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-cyano-2-bicyclo[2.2.1]heptanyl) 2,2,3-trimethylbutanoate
CID 71002119
[(4R)-5-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 155418776
[5-(iodomethyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163926721
(5-propyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58963993
acetonitrile;2-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate
CID 157193732
(7-cyano-3-oxo-2-oxabicyclo[3.2.1]octan-8-yl) 2-methylprop-2-enoate
CID 66656800
[5-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 59616257
[5-[(ethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 129190181
[5-(2-ethyl-2-hydroxybutyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 163675074
[5-[(1,1,2,2,2-pentafluoroethylsulfonylamino)methyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 87413060
[5-[3,3,3-trifluoro-2-iodooxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 170046372
[(1R,2S,4R,5S)-5-hydroxy-2-bicyclo[2.2.1]heptanyl] acetate
CID 10261524

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The IUPAC name of [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate (CID 102070522) is [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The canonical SMILES for [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C[C@H]2C#N.
What is the InChIKey of [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
The InChIKey is MXEJXGXAGGYTMV-MWJCJQSMSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)12(14)15-11-5-8-3-9(11)4-10(8)6-13/h8-11H,1,3-5H2,2H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate?
[(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate has a molecular weight of 205.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-cyano-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate is sourced from PubChem (CID 102070522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).