(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

C16H17NO — CID 10105670

IUPAC(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCC1(C)[C@H]2Cc3nc(-c4ccco4)ccc3[C@@H]1C2
InChIInChI=1S/C16H17NO/c1-16(2)10-8-12(16)11-5-6-13(17-14(11)9-10)15-4-3-7-18-15/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyLDZCVPZVWIOKDS-PWSUYJOCSA-N
MW239.32 g/mol
LogP4.03
Rot. Bonds1

About (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (PubChem CID 10105670) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
PubChem CID10105670
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCC1(C)[C@H]2Cc3nc(-c4ccco4)ccc3[C@@H]1C2
InChIInChI=1S/C16H17NO/c1-16(2)10-8-12(16)11-5-6-13(17-14(11)9-10)15-4-3-7-18-15/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKeyLDZCVPZVWIOKDS-PWSUYJOCSA-N
XLogP4.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (CID 10105670) is (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is CC1(C)[C@H]2Cc3nc(-c4ccco4)ccc3[C@@H]1C2.
What is the InChIKey of (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is LDZCVPZVWIOKDS-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)10-8-12(16)11-5-6-13(17-14(11)9-10)15-4-3-7-18-15/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 239.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 10105670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).