bicyclo[2.2.1]hept-2-ene;naphthalene

C17H18 — CID 175477679

IUPACbicyclo[2.2.1]hept-2-ene;naphthalene
SMILESC1=CC2CCC1C2.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-7-4-3-6(1)5-7/h1-8H;1-2,6-7H,3-5H2
InChIKeyQIICGVUOGREDRW-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.81
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;naphthalene

bicyclo[2.2.1]hept-2-ene;naphthalene (PubChem CID 175477679) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;naphthalene.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;naphthalene
PubChem CID175477679
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Namebicyclo[2.2.1]hept-2-ene;naphthalene
SMILESC1=CC2CCC1C2.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C7H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-7-4-3-6(1)5-7/h1-8H;1-2,6-7H,3-5H2
InChIKeyQIICGVUOGREDRW-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.81
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-2-ene;naphthalene?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;naphthalene (CID 175477679) is bicyclo[2.2.1]hept-2-ene;naphthalene.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;naphthalene?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;naphthalene is C1=CC2CCC1C2.c1ccc2ccccc2c1.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;naphthalene?
The InChIKey is QIICGVUOGREDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C7H10/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-7-4-3-6(1)5-7/h1-8H;1-2,6-7H,3-5H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene;naphthalene?
bicyclo[2.2.1]hept-2-ene;naphthalene has a molecular weight of 222.33 g/mol, XLogP of 4.81, 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-2-ene;naphthalene is sourced from PubChem (CID 175477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).