(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone

C18H25NO2 — CID 171770551

IUPAC(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H25NO2/c1-18(17(20)19-4-6-21-7-5-19)10-13-9-14(18)16-12-3-2-11(8-12)15(13)16/h2-3,11-16H,4-10H2,1H3
InChIKeyXKDWWYBGRMRGBQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.33
Rot. Bonds1

About (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone

(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone (PubChem CID 171770551) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone
PubChem CID171770551
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone
SMILESCC1(C(=O)N2CCOCC2)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H25NO2/c1-18(17(20)19-4-6-21-7-5-19)10-13-9-14(18)16-12-3-2-11(8-12)15(13)16/h2-3,11-16H,4-10H2,1H3
InChIKeyXKDWWYBGRMRGBQ-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone (CID 171770551) is (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone is CC1(C(=O)N2CCOCC2)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone?
The InChIKey is XKDWWYBGRMRGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(17(20)19-4-6-21-7-5-19)10-13-9-14(18)16-12-3-2-11(8-12)15(13)16/h2-3,11-16H,4-10H2,1H3.
What are the key properties of (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone?
(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone has a molecular weight of 287.40 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 171770551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).