(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

C14H17N — CID 146163822

IUPAC(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESC=Cc1cncc2c1CC1C[C@H]2C1(C)C
InChIInChI=1S/C14H17N/c1-4-9-7-15-8-12-11(9)5-10-6-13(12)14(10,2)3/h4,7-8,10,13H,1,5-6H2,2-3H3/t10?,13-/m1/s1
InChIKeyBDFBGKMODQPWLV-JLOHTSLTSA-N
MW199.30 g/mol
LogP3.41
Rot. Bonds1

About (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (PubChem CID 146163822) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
PubChem CID146163822
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESC=Cc1cncc2c1CC1C[C@H]2C1(C)C
InChIInChI=1S/C14H17N/c1-4-9-7-15-8-12-11(9)5-10-6-13(12)14(10,2)3/h4,7-8,10,13H,1,5-6H2,2-3H3/t10?,13-/m1/s1
InChIKeyBDFBGKMODQPWLV-JLOHTSLTSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (CID 146163822) is (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is C=Cc1cncc2c1CC1C[C@H]2C1(C)C.
What is the InChIKey of (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is BDFBGKMODQPWLV-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H17N/c1-4-9-7-15-8-12-11(9)5-10-6-13(12)14(10,2)3/h4,7-8,10,13H,1,5-6H2,2-3H3/t10?,13-/m1/s1.
What are the key properties of (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 199.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 146163822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).