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

C19H22O — CID 67143242

IUPAC8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESCC(C)c1cccc2c1CC(=O)CC21CC2C=CC1C2
InChIInChI=1S/C19H22O/c1-12(2)16-4-3-5-18-17(16)9-15(20)11-19(18)10-13-6-7-14(19)8-13/h3-7,12-14H,8-11H2,1-2H3
InChIKeyPBANZANKAZJUJB-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.16
Rot. Bonds1

About 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one

8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one (PubChem CID 67143242) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one.

Molecular Properties

Compound Name8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one
PubChem CID67143242
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESCC(C)c1cccc2c1CC(=O)CC21CC2C=CC1C2
InChIInChI=1S/C19H22O/c1-12(2)16-4-3-5-18-17(16)9-15(20)11-19(18)10-13-6-7-14(19)8-13/h3-7,12-14H,8-11H2,1-2H3
InChIKeyPBANZANKAZJUJB-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67142679
5-methylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993399
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819
6-methylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67994120
5-methylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993663
1'-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2',5'-dione
CID 18740197
8-butan-2-ylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67142666
5-ethylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993661
4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
N-[2,6-di(propan-2-yl)phenyl]-1-[2-(2-methylprop-2-enyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanimine
CID 59318260
6-ethylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994254

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The IUPAC name of 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one (CID 67143242) is 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one.
What is the SMILES notation for 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The canonical SMILES for 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one is CC(C)c1cccc2c1CC(=O)CC21CC2C=CC1C2.
What is the InChIKey of 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The InChIKey is PBANZANKAZJUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-12(2)16-4-3-5-18-17(16)9-15(20)11-19(18)10-13-6-7-14(19)8-13/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one is sourced from PubChem (CID 67143242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).