5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene

C11H16 — CID 59717872

IUPAC5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CC1CC1
InChIInChI=1S/C11H16/c1-2-8(1)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,1-2,5-7H2
InChIKeyXOAZOTGVWLEOAT-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds2

About 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene

5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 59717872) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID59717872
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CC1CC1
InChIInChI=1S/C11H16/c1-2-8(1)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,1-2,5-7H2
InChIKeyXOAZOTGVWLEOAT-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
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 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene (CID 59717872) is 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is XOAZOTGVWLEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-2-8(1)5-11-7-9-3-4-10(11)6-9/h3-4,8-11H,1-2,5-7H2.
What are the key properties of 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene?
5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 148.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59717872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).