9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene

C17H21N — CID 91234224

IUPAC9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene
SMILESCC=CC=C1C(=CC)N2CCC1C1C=CC=CC12
InChIInChI=1S/C17H21N/c1-3-5-8-14-13-11-12-18(16(14)4-2)17-10-7-6-9-15(13)17/h3-10,13,15,17H,11-12H2,1-2H3
InChIKeyCXWCODKRNBSXJF-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.84
Rot. Bonds1

About 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene

9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene (PubChem CID 91234224) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene.

Molecular Properties

Compound Name9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene
PubChem CID91234224
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene
SMILESCC=CC=C1C(=CC)N2CCC1C1C=CC=CC12
InChIInChI=1S/C17H21N/c1-3-5-8-14-13-11-12-18(16(14)4-2)17-10-7-6-9-15(13)17/h3-10,13,15,17H,11-12H2,1-2H3
InChIKeyCXWCODKRNBSXJF-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene?
The IUPAC name of 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene (CID 91234224) is 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene.
What is the SMILES notation for 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene?
The canonical SMILES for 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene is CC=CC=C1C(=CC)N2CCC1C1C=CC=CC12.
What is the InChIKey of 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene?
The InChIKey is CXWCODKRNBSXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-5-8-14-13-11-12-18(16(14)4-2)17-10-7-6-9-15(13)17/h3-10,13,15,17H,11-12H2,1-2H3.
What are the key properties of 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene?
9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene has a molecular weight of 239.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-but-2-enylidene-10-ethylidene-1-azatricyclo[6.2.2.02,7]dodeca-3,5-diene is sourced from PubChem (CID 91234224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).