7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

C19H22O — CID 67143896

IUPAC7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CCC21CC2=CCC1C2
InChIInChI=1S/C19H22O/c1-12(2)14-4-6-17-16(10-14)18(20)7-8-19(17)11-13-3-5-15(19)9-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3
InChIKeyYZMPJVFQFQZRSZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.76
Rot. Bonds1

About 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (PubChem CID 67143896) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.

Molecular Properties

Compound Name7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
PubChem CID67143896
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CCC21CC2=CCC1C2
InChIInChI=1S/C19H22O/c1-12(2)14-4-6-17-16(10-14)18(20)7-8-19(17)11-13-3-5-15(19)9-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3
InChIKeyYZMPJVFQFQZRSZ-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The IUPAC name of 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (CID 67143896) is 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.
What is the SMILES notation for 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The canonical SMILES for 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is CC(C)c1ccc2c(c1)C(=O)CCC21CC2=CCC1C2.
What is the InChIKey of 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The InChIKey is YZMPJVFQFQZRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-12(2)14-4-6-17-16(10-14)18(20)7-8-19(17)11-13-3-5-15(19)9-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3.
What are the key properties of 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one has a molecular weight of 266.38 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is sourced from PubChem (CID 67143896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).