10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene

C13H15N3O — CID 11042529

IUPAC10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
SMILESc1cc2c3c(c1)OC(C1=NCCN1)CN3CC2
InChIInChI=1S/C13H15N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-3,11H,4-8H2,(H,14,15)
InChIKeyCRDZGGCGDUSBFI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.81
Rot. Bonds1

About 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene

10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene (PubChem CID 11042529) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene.

Molecular Properties

Compound Name10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
PubChem CID11042529
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
SMILESc1cc2c3c(c1)OC(C1=NCCN1)CN3CC2
InChIInChI=1S/C13H15N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-3,11H,4-8H2,(H,14,15)
InChIKeyCRDZGGCGDUSBFI-UHFFFAOYSA-N
XLogP0.81
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The IUPAC name of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene (CID 11042529) is 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene.
What is the SMILES notation for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The canonical SMILES for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene is c1cc2c3c(c1)OC(C1=NCCN1)CN3CC2.
What is the InChIKey of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
The InChIKey is CRDZGGCGDUSBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-9-4-7-16-8-11(13-14-5-6-15-13)17-10(3-1)12(9)16/h1-3,11H,4-8H2,(H,14,15).
What are the key properties of 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene?
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene has a molecular weight of 229.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene is sourced from PubChem (CID 11042529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).