(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one

C14H21NO — CID 56600815

IUPAC(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one
SMILESCC1=C[C@H]2CC[C@@H]3[C@@H](C)C(=O)[C@H](C)[C@@H](C1)N32
InChIInChI=1S/C14H21NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h6,9-13H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyDIHMROLOHJSGGD-SYLRKERUSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds

About (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one

(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one (PubChem CID 56600815) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one.

Molecular Properties

Compound Name(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one
PubChem CID56600815
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one
SMILESCC1=C[C@H]2CC[C@@H]3[C@@H](C)C(=O)[C@H](C)[C@@H](C1)N32
InChIInChI=1S/C14H21NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h6,9-13H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyDIHMROLOHJSGGD-SYLRKERUSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one with MolForge

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Related Compounds

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CID 58718244
(8aS)-2-propylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 69557565
2-Ethylidene-1,3,5,6,8,8a-hexahydroindolizin-7-one
CID 69589128
(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one?
The IUPAC name of (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one (CID 56600815) is (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one.
What is the SMILES notation for (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one?
The canonical SMILES for (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one is CC1=C[C@H]2CC[C@@H]3[C@@H](C)C(=O)[C@H](C)[C@@H](C1)N32.
What is the InChIKey of (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one?
The InChIKey is DIHMROLOHJSGGD-SYLRKERUSA-N. The full InChI is InChI=1S/C14H21NO/c1-8-6-11-4-5-12-9(2)14(16)10(3)13(7-8)15(11)12/h6,9-13H,4-5,7H2,1-3H3/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one?
(1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one has a molecular weight of 219.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,7R,8R)-5,7,10-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-10-en-6-one is sourced from PubChem (CID 56600815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).