(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate

C19H21NO3 — CID 3047292

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2
InChIInChI=1S/C19H21NO3/c1-20-14-7-8-15(20)12-16(11-14)22-19(21)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11-12H2,1H3
InChIKeyZWBZWJPGCVOBFD-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.73
Rot. Bonds3

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate (PubChem CID 3047292) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate
PubChem CID3047292
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2
InChIInChI=1S/C19H21NO3/c1-20-14-7-8-15(20)12-16(11-14)22-19(21)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11-12H2,1H3
InChIKeyZWBZWJPGCVOBFD-UHFFFAOYSA-N
XLogP3.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate (CID 3047292) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate is CN1C2CCC1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate?
The InChIKey is ZWBZWJPGCVOBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-14-7-8-15(20)12-16(11-14)22-19(21)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11-12H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-phenylfuran-2-carboxylate is sourced from PubChem (CID 3047292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).