(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate

C10H14O3 — CID 140551082

IUPAC(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC12CCC(CC1O)C2
InChIInChI=1S/C10H14O3/c1-2-9(12)13-10-4-3-7(6-10)5-8(10)11/h2,7-8,11H,1,3-6H2
InChIKeySFHIEUMDLDWJHT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.02
Rot. Bonds2

About (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate

(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 140551082) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID140551082
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC12CCC(CC1O)C2
InChIInChI=1S/C10H14O3/c1-2-9(12)13-10-4-3-7(6-10)5-8(10)11/h2,7-8,11H,1,3-6H2
InChIKeySFHIEUMDLDWJHT-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

(5-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
(2-Hydroxy-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 21703302
(4-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 22986491
1-(Oxan-2-yloxy)bicyclo[2.2.1]heptan-2-ol;prop-2-enoic acid
CID 67004795
(3-Hydroxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 68023319
(1-Hydroxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 68524558
(3-Formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89109150
(3-Acetyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89119131
(1,2-Dihydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 141160177
(7-Hydroxy-8-tricyclo[5.2.1.02,6]decanyl) prop-2-enoate
CID 141403387
(6-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 142743627
(3-Hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 148176525

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 140551082) is (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=CC(=O)OC12CCC(CC1O)C2.
What is the InChIKey of (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is SFHIEUMDLDWJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-9(12)13-10-4-3-7(6-10)5-8(10)11/h2,7-8,11H,1,3-6H2.
What are the key properties of (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate?
(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 140551082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).