(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C17H23N — CID 7233583

IUPAC(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12
InChIInChI=1S/C17H23N/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4/h5-8,14-16,18H,1,9-10H2,2-4H3/t14-,15-,16+/m0/s1
InChIKeyZVZCYSQBQLWXCC-HRCADAONSA-N
MW241.38 g/mol
LogP4.18
Rot. Bonds2

About (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 7233583) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID7233583
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12
InChIInChI=1S/C17H23N/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4/h5-8,14-16,18H,1,9-10H2,2-4H3/t14-,15-,16+/m0/s1
InChIKeyZVZCYSQBQLWXCC-HRCADAONSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 7233583) is (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1ccccc12.
What is the InChIKey of (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is ZVZCYSQBQLWXCC-HRCADAONSA-N. The full InChI is InChI=1S/C17H23N/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4/h5-8,14-16,18H,1,9-10H2,2-4H3/t14-,15-,16+/m0/s1.
What are the key properties of (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
(1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 241.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10S)-11,11-dimethyl-10-(2-methylprop-2-enyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 7233583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).