bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene

C11H15Cl — CID 174904901

IUPACbicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene
SMILESC1=CC2CCC1C2.C=CC=CCl
InChIInChI=1S/C7H10.C4H5Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5/h1-2,6-7H,3-5H2;2-4H,1H2
InChIKeyZCWOAUIOOZWKLI-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.90
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene

bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene (PubChem CID 174904901) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene
PubChem CID174904901
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Namebicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene
SMILESC1=CC2CCC1C2.C=CC=CCl
InChIInChI=1S/C7H10.C4H5Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5/h1-2,6-7H,3-5H2;2-4H,1H2
InChIKeyZCWOAUIOOZWKLI-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene (CID 174904901) is bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene is C1=CC2CCC1C2.C=CC=CCl.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene?
The InChIKey is ZCWOAUIOOZWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C4H5Cl/c1-2-7-4-3-6(1)5-7;1-2-3-4-5/h1-2,6-7H,3-5H2;2-4H,1H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene?
bicyclo[2.2.1]hept-2-ene;1-chlorobuta-1,3-diene has a molecular weight of 182.69 g/mol, XLogP of 3.90, 1 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-2-ene;1-chlorobuta-1,3-diene is sourced from PubChem (CID 174904901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).