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

C15H19N — CID 100807063

IUPAC(1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=CC[C@H]1N[C@H]2C[C@@H](C)[C@@H]1c1ccccc12
InChIInChI=1S/C15H19N/c1-3-6-13-15-10(2)9-14(16-13)11-7-4-5-8-12(11)15/h3-5,7-8,10,13-16H,1,6,9H2,2H3/t10-,13-,14+,15-/m1/s1
InChIKeyWVEZEGUHXBTLMA-QPKOPYBWSA-N
MW213.32 g/mol
LogP3.40
Rot. Bonds2

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

(1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 100807063) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID100807063
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESC=CC[C@H]1N[C@H]2C[C@@H](C)[C@@H]1c1ccccc12
InChIInChI=1S/C15H19N/c1-3-6-13-15-10(2)9-14(16-13)11-7-4-5-8-12(11)15/h3-5,7-8,10,13-16H,1,6,9H2,2H3/t10-,13-,14+,15-/m1/s1
InChIKeyWVEZEGUHXBTLMA-QPKOPYBWSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.40
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,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 100807063) is (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is C=CC[C@H]1N[C@H]2C[C@@H](C)[C@@H]1c1ccccc12.
What is the InChIKey of (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is WVEZEGUHXBTLMA-QPKOPYBWSA-N. The full InChI is InChI=1S/C15H19N/c1-3-6-13-15-10(2)9-14(16-13)11-7-4-5-8-12(11)15/h3-5,7-8,10,13-16H,1,6,9H2,2H3/t10-,13-,14+,15-/m1/s1.
What are the key properties of (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
(1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 213.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10R,11R)-11-methyl-10-prop-2-enyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 100807063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).