(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C15H15NO2 — CID 118712863

IUPAC(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCc1ccc([C@@H]2C[C@H]3Cc4ccccc4N2O3)o1
InChIInChI=1S/C15H15NO2/c1-10-6-7-15(17-10)14-9-12-8-11-4-2-3-5-13(11)16(14)18-12/h2-7,12,14H,8-9H2,1H3/t12-,14+/m1/s1
InChIKeyVYRFFNKVGJWDQR-OCCSQVGLSA-N
MW241.29 g/mol
LogP3.40
Rot. Bonds1

About (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 118712863) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID118712863
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCc1ccc([C@@H]2C[C@H]3Cc4ccccc4N2O3)o1
InChIInChI=1S/C15H15NO2/c1-10-6-7-15(17-10)14-9-12-8-11-4-2-3-5-13(11)16(14)18-12/h2-7,12,14H,8-9H2,1H3/t12-,14+/m1/s1
InChIKeyVYRFFNKVGJWDQR-OCCSQVGLSA-N
XLogP3.40
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 118712863) is (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is Cc1ccc([C@@H]2C[C@H]3Cc4ccccc4N2O3)o1.
What is the InChIKey of (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is VYRFFNKVGJWDQR-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-7-15(17-10)14-9-12-8-11-4-2-3-5-13(11)16(14)18-12/h2-7,12,14H,8-9H2,1H3/t12-,14+/m1/s1.
What are the key properties of (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 241.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,11S)-11-(5-methylfuran-2-yl)-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 118712863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).