(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C10H14O3 — CID 142743627

IUPAC(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC(O)C1C2
InChIInChI=1S/C10H14O3/c1-2-10(12)13-9-5-6-3-7(9)8(11)4-6/h2,6-9,11H,1,3-5H2
InChIKeyPJLXYWKCRRJYSY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.88
Rot. Bonds2

About (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 142743627) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound Name(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID142743627
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1CC2CC(O)C1C2
InChIInChI=1S/C10H14O3/c1-2-10(12)13-9-5-6-3-7(9)8(11)4-6/h2,6-9,11H,1,3-5H2
InChIKeyPJLXYWKCRRJYSY-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.88
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

Acrylic acid, 2-norbornyl ester
CID 111992
2-Norbornyl acrylate
CID 14832789
rel-(1R,4S)-Bicyclo(2.2.1)hept-2-yl 2-propenoate
CID 55282291
5-Butoxybicyclo[2.2.1]heptan-2-yl acrylate
CID 129742744
(5-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
[5-(Hydroxymethyl)-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 22227501
(4-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 22986491
(5-Prop-2-enoyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 57623861
(5-Hydroxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 58819327
(3,5-Dihydroxy-2-bicyclo[2.2.1]heptanyl)methyl prop-2-enoate
CID 70152054
3-Oxatricyclo[3.2.1.02,4]octan-6-yl prop-2-enoate
CID 102248197
[(2R,5S)-4-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl] prop-2-enoate
CID 134301779

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 142743627) is (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=CC(=O)OC1CC2CC(O)C1C2.
What is the InChIKey of (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is PJLXYWKCRRJYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-10(12)13-9-5-6-3-7(9)8(11)4-6/h2,6-9,11H,1,3-5H2.
What are the key properties of (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
(6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 142743627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).