5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid

C10H14O2 — CID 70426120

IUPAC5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid
SMILESCC=C1CC2C=CC1C2.O=CO
InChIInChI=1S/C9H12.CH2O2/c1-2-8-5-7-3-4-9(8)6-7;2-1-3/h2-4,7,9H,5-6H2,1H3;1H,(H,2,3)
InChIKeyVHKFHUIIYBEYDR-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds

About 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid

5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid (PubChem CID 70426120) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid.

Molecular Properties

Compound Name5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid
PubChem CID70426120
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid
SMILESCC=C1CC2C=CC1C2.O=CO
InChIInChI=1S/C9H12.CH2O2/c1-2-8-5-7-3-4-9(8)6-7;2-1-3/h2-4,7,9H,5-6H2,1H3;1H,(H,2,3)
InChIKeyVHKFHUIIYBEYDR-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid?
The IUPAC name of 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid (CID 70426120) is 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid.
What is the SMILES notation for 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid?
The canonical SMILES for 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid is CC=C1CC2C=CC1C2.O=CO.
What is the InChIKey of 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid?
The InChIKey is VHKFHUIIYBEYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CH2O2/c1-2-8-5-7-3-4-9(8)6-7;2-1-3/h2-4,7,9H,5-6H2,1H3;1H,(H,2,3).
What are the key properties of 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid?
5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid has a molecular weight of 166.22 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidenebicyclo[2.2.1]hept-2-ene;formic acid is sourced from PubChem (CID 70426120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).