9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene

C11H16N2O — CID 86089939

IUPAC9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
SMILESCC(C)(C)OC1C2C=CC1C1N=NC21
InChIInChI=1S/C11H16N2O/c1-11(2,3)14-10-6-4-5-7(10)9-8(6)12-13-9/h4-10H,1-3H3
InChIKeyNUZRMAYPILLQFL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.19
Rot. Bonds1

About 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene

9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene (PubChem CID 86089939) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene.

Molecular Properties

Compound Name9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
PubChem CID86089939
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
SMILESCC(C)(C)OC1C2C=CC1C1N=NC21
InChIInChI=1S/C11H16N2O/c1-11(2,3)14-10-6-4-5-7(10)9-8(6)12-13-9/h4-10H,1-3H3
InChIKeyNUZRMAYPILLQFL-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene?
The IUPAC name of 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene (CID 86089939) is 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene.
What is the SMILES notation for 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene?
The canonical SMILES for 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene is CC(C)(C)OC1C2C=CC1C1N=NC21.
What is the InChIKey of 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene?
The InChIKey is NUZRMAYPILLQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)14-10-6-4-5-7(10)9-8(6)12-13-9/h4-10H,1-3H3.
What are the key properties of 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene?
9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene has a molecular weight of 192.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene is sourced from PubChem (CID 86089939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).