imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium

C15H23N2O+ — CID 23253812

IUPACimino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium
SMILESCC1=CCC2(CC1)C(=O)C(=[N+]=N)CCCC2(C)C
InChIInChI=1S/C15H23N2O/c1-11-6-9-15(10-7-11)13(18)12(17-16)5-4-8-14(15,2)3/h6,16H,4-5,7-10H2,1-3H3/q+1
InChIKeyFHVQILSYFBVESQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.56
Rot. Bonds

About imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium

imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium (PubChem CID 23253812) has the molecular formula C15H23N2O+ and a molecular weight of 247.36 g/mol. Its IUPAC name is imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium.

Molecular Properties

Compound Nameimino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium
PubChem CID23253812
Molecular FormulaC15H23N2O+
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC Nameimino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium
SMILESCC1=CCC2(CC1)C(=O)C(=[N+]=N)CCCC2(C)C
InChIInChI=1S/C15H23N2O/c1-11-6-9-15(10-7-11)13(18)12(17-16)5-4-8-14(15,2)3/h6,16H,4-5,7-10H2,1-3H3/q+1
InChIKeyFHVQILSYFBVESQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium?
The IUPAC name of imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium (CID 23253812) is imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium.
What is the SMILES notation for imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium?
The canonical SMILES for imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium is CC1=CCC2(CC1)C(=O)C(=[N+]=N)CCCC2(C)C.
What is the InChIKey of imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium?
The InChIKey is FHVQILSYFBVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2O/c1-11-6-9-15(10-7-11)13(18)12(17-16)5-4-8-14(15,2)3/h6,16H,4-5,7-10H2,1-3H3/q+1.
What are the key properties of imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium?
imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium has a molecular weight of 247.36 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(3,12,12-trimethyl-7-oxospiro[5.6]dodec-3-en-8-ylidene)azanium is sourced from PubChem (CID 23253812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).