(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene

C10H13N — CID 89308813

IUPAC(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC[C@@]12C=NC[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13N/c1-10-6-11-5-9(10)7-2-3-8(10)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9-,10+/m1/s1
InChIKeyAGUQTUYWOVOXJL-RGOKHQFPSA-N
MW147.22 g/mol
LogP1.90
Rot. Bonds

About (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 89308813) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID89308813
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC[C@@]12C=NC[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13N/c1-10-6-11-5-9(10)7-2-3-8(10)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9-,10+/m1/s1
InChIKeyAGUQTUYWOVOXJL-RGOKHQFPSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
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)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene (CID 89308813) is (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene is C[C@@]12C=NC[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is AGUQTUYWOVOXJL-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H13N/c1-10-6-11-5-9(10)7-2-3-8(10)4-7/h2-3,6-9H,4-5H2,1H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 147.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 89308813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).