9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene

C12H17N — CID 156577076

IUPAC9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene
SMILESCC1C2NC(C3=CCCC=C32)C1C
InChIInChI=1S/C12H17N/c1-7-8(2)12-10-6-4-3-5-9(10)11(7)13-12/h5-8,11-13H,3-4H2,1-2H3
InChIKeyZXTXASKWJOWCPV-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.26
Rot. Bonds

About 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene

9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene (PubChem CID 156577076) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene.

Molecular Properties

Compound Name9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene
PubChem CID156577076
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene
SMILESCC1C2NC(C3=CCCC=C32)C1C
InChIInChI=1S/C12H17N/c1-7-8(2)12-10-6-4-3-5-9(10)11(7)13-12/h5-8,11-13H,3-4H2,1-2H3
InChIKeyZXTXASKWJOWCPV-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene?
The IUPAC name of 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene (CID 156577076) is 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene.
What is the SMILES notation for 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene?
The canonical SMILES for 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene is CC1C2NC(C3=CCCC=C32)C1C.
What is the InChIKey of 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene?
The InChIKey is ZXTXASKWJOWCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-7-8(2)12-10-6-4-3-5-9(10)11(7)13-12/h5-8,11-13H,3-4H2,1-2H3.
What are the key properties of 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene?
9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene has a molecular weight of 175.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,6-diene is sourced from PubChem (CID 156577076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).