[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

C10H14O2 — CID 55282291

IUPAC[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H14O2/c1-2-10(11)12-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2/t7-,8+,9?/m0/s1
InChIKeyIQYMRQZTDOLQHC-ZQTLJVIJSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds2

About [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (PubChem CID 55282291) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.

Molecular Properties

Compound Name[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
PubChem CID55282291
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
SMILESC=CC(=O)OC1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H14O2/c1-2-10(11)12-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2/t7-,8+,9?/m0/s1
InChIKeyIQYMRQZTDOLQHC-ZQTLJVIJSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isobornyl acrylate
CID 639970
2-Norbornyl methacrylate
CID 4177229
(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl prop-2-enoate
CID 904858
(2E)-4-(bicyclo[2.2.1]hept-2-yloxy)-4-oxobut-2-enoic acid
CID 5290698
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acrylate
CID 544160
Acrylic acid, 2-norbornyl ester
CID 111992
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acrylate
CID 93013
2-Norbornyl acrylate
CID 14832789
Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-YL acrylate
CID 117434
Bicyclo[2.2.1]hept-2-yloxyethyl acrylate
CID 14693001
4,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acrylate
CID 70480932
5-Acetoxy-2-norbornyl acrylate
CID 129762230

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The IUPAC name of [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate (CID 55282291) is [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate.
What is the SMILES notation for [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The canonical SMILES for [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is C=CC(=O)OC1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
The InChIKey is IQYMRQZTDOLQHC-ZQTLJVIJSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(11)12-9-6-7-3-4-8(9)5-7/h2,7-9H,1,3-6H2/t7-,8+,9?/m0/s1.
What are the key properties of [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate?
[(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate is sourced from PubChem (CID 55282291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).