(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one

C17H18O2 — CID 10332544

IUPAC(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one
SMILESO=C1/C(=C/c2ccco2)CC23CCCC=C2CC1C3
InChIInChI=1S/C17H18O2/c18-16-12-8-14-4-1-2-6-17(14,10-12)11-13(16)9-15-5-3-7-19-15/h3-5,7,9,12H,1-2,6,8,10-11H2/b13-9+
InChIKeyHUVCLKMRTIFIMN-UKTHLTGXSA-N
MW254.33 g/mol
LogP4.14
Rot. Bonds1

About (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one

(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one (PubChem CID 10332544) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one.

Molecular Properties

Compound Name(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one
PubChem CID10332544
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one
SMILESO=C1/C(=C/c2ccco2)CC23CCCC=C2CC1C3
InChIInChI=1S/C17H18O2/c18-16-12-8-14-4-1-2-6-17(14,10-12)11-13(16)9-15-5-3-7-19-15/h3-5,7,9,12H,1-2,6,8,10-11H2/b13-9+
InChIKeyHUVCLKMRTIFIMN-UKTHLTGXSA-N
XLogP4.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one?
The IUPAC name of (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one (CID 10332544) is (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one.
What is the SMILES notation for (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one?
The canonical SMILES for (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one is O=C1/C(=C/c2ccco2)CC23CCCC=C2CC1C3.
What is the InChIKey of (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one?
The InChIKey is HUVCLKMRTIFIMN-UKTHLTGXSA-N. The full InChI is InChI=1S/C17H18O2/c18-16-12-8-14-4-1-2-6-17(14,10-12)11-13(16)9-15-5-3-7-19-15/h3-5,7,9,12H,1-2,6,8,10-11H2/b13-9+.
What are the key properties of (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one?
(10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one has a molecular weight of 254.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-10-(furan-2-ylmethylidene)tricyclo[6.3.1.01,6]dodec-5-en-9-one is sourced from PubChem (CID 10332544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).