(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione

C23H20O2 — CID 15315265

IUPAC(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
SMILESO=C1/C(=C/c2ccccc2)CC2CC1C/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C23H20O2/c24-22-18(11-16-7-3-1-4-8-16)13-20-15-21(22)14-19(23(20)25)12-17-9-5-2-6-10-17/h1-12,20-21H,13-15H2/b18-11+,19-12+
InChIKeyFLCVVWLVXUXRFP-GDAWTGGTSA-N
MW328.41 g/mol
LogP4.72
Rot. Bonds2

About (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione

(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione (PubChem CID 15315265) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione.

Molecular Properties

Compound Name(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
PubChem CID15315265
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione
SMILESO=C1/C(=C/c2ccccc2)CC2CC1C/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C23H20O2/c24-22-18(11-16-7-3-1-4-8-16)13-20-15-21(22)14-19(23(20)25)12-17-9-5-2-6-10-17/h1-12,20-21H,13-15H2/b18-11+,19-12+
InChIKeyFLCVVWLVXUXRFP-GDAWTGGTSA-N
XLogP4.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione with MolForge

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Related Compounds

(1S,3E,5R)-3-benzylidene-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 139204729
2-benzylidenecyclobutan-1-one
CID 73042587
(1S,3Z,5S)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 6858993
(1S,3Z,5S,7E)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 2261789
(1R,3Z,5R)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 933207
(3Z,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 5342343
(1R,3Z,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 915771
(1R,3E,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 744502
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
(2Z)-2-benzylidene-5-cyclopentylcyclohexan-1-one
CID 68642899
(2E,3R,5Z)-2,5-dibenzylidene-3-methylcyclopentan-1-one
CID 92523827
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione?
The IUPAC name of (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione (CID 15315265) is (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione.
What is the SMILES notation for (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione?
The canonical SMILES for (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione is O=C1/C(=C/c2ccccc2)CC2CC1C/C(=C\c1ccccc1)C2=O.
What is the InChIKey of (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione?
The InChIKey is FLCVVWLVXUXRFP-GDAWTGGTSA-N. The full InChI is InChI=1S/C23H20O2/c24-22-18(11-16-7-3-1-4-8-16)13-20-15-21(22)14-19(23(20)25)12-17-9-5-2-6-10-17/h1-12,20-21H,13-15H2/b18-11+,19-12+.
What are the key properties of (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione?
(3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione has a molecular weight of 328.41 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-3,7-dibenzylidenebicyclo[3.3.1]nonane-2,6-dione is sourced from PubChem (CID 15315265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).