4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C12H16N2O — CID 19782497

IUPAC4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CCNC(C1)N2
InChIInChI=1S/C12H16N2O/c1-15-9-2-3-11-10(7-9)8-4-5-13-12(6-8)14-11/h2-3,7-8,12-14H,4-6H2,1H3
InChIKeyJPTOBNBFLKDIAV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.91
Rot. Bonds1

About 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 19782497) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID19782497
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1CCNC(C1)N2
InChIInChI=1S/C12H16N2O/c1-15-9-2-3-11-10(7-9)8-4-5-13-12(6-8)14-11/h2-3,7-8,12-14H,4-6H2,1H3
InChIKeyJPTOBNBFLKDIAV-UHFFFAOYSA-N
XLogP1.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 19782497) is 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is COc1ccc2c(c1)C1CCNC(C1)N2.
What is the InChIKey of 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is JPTOBNBFLKDIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-9-2-3-11-10(7-9)8-4-5-13-12(6-8)14-11/h2-3,7-8,12-14H,4-6H2,1H3.
What are the key properties of 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 204.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 19782497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).