bicyclo[2.2.1]hept-1-ene

C14H20 — CID 19832543

IUPACbicyclo[2.2.1]hept-1-ene
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2
InChIInChI=1S/2C7H10/c2*1-2-7-4-3-6(1)5-7/h2*1,7H,2-5H2
InChIKeyVTZGFQCYZFAITF-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.23
Rot. Bonds

About bicyclo[2.2.1]hept-1-ene

bicyclo[2.2.1]hept-1-ene (PubChem CID 19832543) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1-ene
PubChem CID19832543
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namebicyclo[2.2.1]hept-1-ene
SMILESC1=C2CCC(C1)C2.C1=C2CCC(C1)C2
InChIInChI=1S/2C7H10/c2*1-2-7-4-3-6(1)5-7/h2*1,7H,2-5H2
InChIKeyVTZGFQCYZFAITF-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-1-ene?
The IUPAC name of bicyclo[2.2.1]hept-1-ene (CID 19832543) is bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for bicyclo[2.2.1]hept-1-ene is C1=C2CCC(C1)C2.C1=C2CCC(C1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-1-ene?
The InChIKey is VTZGFQCYZFAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10/c2*1-2-7-4-3-6(1)5-7/h2*1,7H,2-5H2.
What are the key properties of bicyclo[2.2.1]hept-1-ene?
bicyclo[2.2.1]hept-1-ene has a molecular weight of 188.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 19832543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).