2-bicyclo[2.2.1]hept-5-enyl formate

C8H10O2 — CID 548723

IUPAC2-bicyclo[2.2.1]hept-5-enyl formate
SMILESO=COC1CC2C=CC1C2
InChIInChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
InChIKeyMHANBCJKSCKIMT-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.12
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl formate

2-bicyclo[2.2.1]hept-5-enyl formate (PubChem CID 548723) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl formate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl formate
PubChem CID548723
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl formate
SMILESO=COC1CC2C=CC1C2
InChIInChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
InChIKeyMHANBCJKSCKIMT-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl formate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl formate (CID 548723) is 2-bicyclo[2.2.1]hept-5-enyl formate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl formate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl formate is O=COC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl formate?
The InChIKey is MHANBCJKSCKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-10-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl formate?
2-bicyclo[2.2.1]hept-5-enyl formate has a molecular weight of 138.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl formate is sourced from PubChem (CID 548723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).