N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

C15H21NO — CID 139919677

IUPACN-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESCCNC(=O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H21NO/c1-2-16-15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7H2,1H3,(H,16,17)
InChIKeyGKJGXVZBPJVXMD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.22
Rot. Bonds2

About N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide

N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (PubChem CID 139919677) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.

Molecular Properties

Compound NameN-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
PubChem CID139919677
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide
SMILESCCNC(=O)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H21NO/c1-2-16-15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7H2,1H3,(H,16,17)
InChIKeyGKJGXVZBPJVXMD-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The IUPAC name of N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide (CID 139919677) is N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide.
What is the SMILES notation for N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The canonical SMILES for N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is CCNC(=O)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
The InChIKey is GKJGXVZBPJVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-16-15(17)12-7-10-6-11(12)14-9-4-3-8(5-9)13(10)14/h3-4,8-14H,2,5-7H2,1H3,(H,16,17).
What are the key properties of N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide?
N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxamide is sourced from PubChem (CID 139919677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).