5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

C17H20 — CID 173380787

IUPAC5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCc1cccc2c1C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C17H20/c1-12-4-2-5-14-6-3-9-17(16(12)14)11-13-7-8-15(17)10-13/h2,4-5,7,15H,3,6,8-11H2,1H3
InChIKeyNZHZPYSJJRPIIX-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.31
Rot. Bonds

About 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]

5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 173380787) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID173380787
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
SMILESCc1cccc2c1C1(CCC2)CC2=CCC1C2
InChIInChI=1S/C17H20/c1-12-4-2-5-14-6-3-9-17(16(12)14)11-13-7-8-15(17)10-13/h2,4-5,7,15H,3,6,8-11H2,1H3
InChIKeyNZHZPYSJJRPIIX-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.31
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-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] (CID 173380787) is 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is Cc1cccc2c1C1(CCC2)CC2=CCC1C2.
What is the InChIKey of 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is NZHZPYSJJRPIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-12-4-2-5-14-6-3-9-17(16(12)14)11-13-7-8-15(17)10-13/h2,4-5,7,15H,3,6,8-11H2,1H3.
What are the key properties of 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]?
5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 224.35 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 173380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).