1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene

C11H16N2 — CID 46227843

IUPAC1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene
SMILESCC12CCC(C3C=NN=C31)C2(C)C
InChIInChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3
InChIKeyFCCSMIOXGMZIRE-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.50
Rot. Bonds

About 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene

1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene (PubChem CID 46227843) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene.

Molecular Properties

Compound Name1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene
PubChem CID46227843
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene
SMILESCC12CCC(C3C=NN=C31)C2(C)C
InChIInChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3
InChIKeyFCCSMIOXGMZIRE-UHFFFAOYSA-N
XLogP2.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene?
The IUPAC name of 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene (CID 46227843) is 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene.
What is the SMILES notation for 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene?
The canonical SMILES for 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene is CC12CCC(C3C=NN=C31)C2(C)C.
What is the InChIKey of 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene?
The InChIKey is FCCSMIOXGMZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(2)8-4-5-11(10,3)9-7(8)6-12-13-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene?
1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene has a molecular weight of 176.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,4-diene is sourced from PubChem (CID 46227843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).