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

C23H24O — CID 67142679

IUPAC8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCC(C)c1cccc2cc3c(cc12)C(=O)C1(CC3)CC2C=CC1C2
InChIInChI=1S/C23H24O/c1-14(2)19-5-3-4-16-11-17-8-9-23(13-15-6-7-18(23)10-15)22(24)21(17)12-20(16)19/h3-7,11-12,14-15,18H,8-10,13H2,1-2H3
InChIKeyIFZISZYKZCVQJN-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.67
Rot. Bonds1

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

8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one (PubChem CID 67142679) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one.

Molecular Properties

Compound Name8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
PubChem CID67142679
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCC(C)c1cccc2cc3c(cc12)C(=O)C1(CC3)CC2C=CC1C2
InChIInChI=1S/C23H24O/c1-14(2)19-5-3-4-16-11-17-8-9-23(13-15-6-7-18(23)10-15)22(24)21(17)12-20(16)19/h3-7,11-12,14-15,18H,8-10,13H2,1-2H3
InChIKeyIFZISZYKZCVQJN-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.67
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

7-aminospiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993983
6-butylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994339
8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143242
5-methoxyspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993349
8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380701
5-(2-methylpropyl)spiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993777
8-propylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380669
8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
6-ethylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994254
spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049288
7-phenylspiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993811
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The IUPAC name of 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one (CID 67142679) is 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one.
What is the SMILES notation for 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The canonical SMILES for 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one is CC(C)c1cccc2cc3c(cc12)C(=O)C1(CC3)CC2C=CC1C2.
What is the InChIKey of 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The InChIKey is IFZISZYKZCVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-14(2)19-5-3-4-16-11-17-8-9-23(13-15-6-7-18(23)10-15)22(24)21(17)12-20(16)19/h3-7,11-12,14-15,18H,8-10,13H2,1-2H3.
What are the key properties of 8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
8-propan-2-ylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one has a molecular weight of 316.44 g/mol, XLogP of 5.67, 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[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one is sourced from PubChem (CID 67142679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).