(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C9H13N — CID 12655650

IUPAC(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2C[C@@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+
InChIKeyCJMPQJDYEONFGO-SPJNRGJMSA-N
MW135.21 g/mol
LogP1.03
Rot. Bonds

About (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene

(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 12655650) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID12655650
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=C[C@H]2C[C@@H]1[C@H]1CNC[C@H]12
InChIInChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+
InChIKeyCJMPQJDYEONFGO-SPJNRGJMSA-N
XLogP1.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.03
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,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 12655650) is (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene is C1=C[C@H]2C[C@@H]1[C@H]1CNC[C@H]12.
What is the InChIKey of (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is CJMPQJDYEONFGO-SPJNRGJMSA-N. The full InChI is InChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2/t6-,7+,8-,9+.
What are the key properties of (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
(1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 135.21 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 12655650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).