spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]

C9H12 — CID 548765

IUPACspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
SMILESC1=CC2CC1CC21CC1
InChIInChI=1S/C9H12/c1-2-8-5-7(1)6-9(8)3-4-9/h1-2,7-8H,3-6H2
InChIKeyTYFPMPJIRDNPJL-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.36
Rot. Bonds

About spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]

spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] (PubChem CID 548765) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
PubChem CID548765
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Namespiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
SMILESC1=CC2CC1CC21CC1
InChIInChI=1S/C9H12/c1-2-8-5-7(1)6-9(8)3-4-9/h1-2,7-8H,3-6H2
InChIKeyTYFPMPJIRDNPJL-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.36
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 spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] (CID 548765) is spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane].
What is the SMILES notation for spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The canonical SMILES for spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] is C1=CC2CC1CC21CC1.
What is the InChIKey of spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The InChIKey is TYFPMPJIRDNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-5-7(1)6-9(8)3-4-9/h1-2,7-8H,3-6H2.
What are the key properties of spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] has a molecular weight of 120.19 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] is sourced from PubChem (CID 548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).