(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C11H14O4 — CID 89109150

IUPAC(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1C2CCC(C2)C1OC=O
InChIInChI=1S/C11H14O4/c1-2-9(13)15-11-8-4-3-7(5-8)10(11)14-6-12/h2,6-8,10-11H,1,3-5H2
InChIKeyULCCCYGYMGOTQU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds4

About (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 89109150) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

Compound Name(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
PubChem CID89109150
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
SMILESC=CC(=O)OC1C2CCC(C2)C1OC=O
InChIInChI=1S/C11H14O4/c1-2-9(13)15-11-8-4-3-7(5-8)10(11)14-6-12/h2,6-8,10-11H,1,3-5H2
InChIKeyULCCCYGYMGOTQU-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3-formyloxy-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] prop-2-enoate
CID 88872558
(3-formyloxy-5-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89063658
(2-formyloxy-5-methyl-3-propan-2-ylcyclopentyl) prop-2-enoate
CID 89214017
(12-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 59060410
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl prop-2-enoate
CID 20727671
CID 159294157
CID 159294157
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
(5-hydroxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 20727695
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
methanol;tricyclo[5.2.1.02,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-4-enyl prop-2-enoate
CID 157391279
(5-methyl-4-tricyclo[5.3.1.13,9]dodecanyl) prop-2-enoate
CID 130312887

Frequently Asked Questions

What is the IUPAC name of (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The IUPAC name of (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 89109150) is (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.
What is the SMILES notation for (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The canonical SMILES for (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=CC(=O)OC1C2CCC(C2)C1OC=O.
What is the InChIKey of (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
The InChIKey is ULCCCYGYMGOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-9(13)15-11-8-4-3-7(5-8)10(11)14-6-12/h2,6-8,10-11H,1,3-5H2.
What are the key properties of (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?
(3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyloxy-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 89109150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).