(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one

C15H17NO2 — CID 53306008

IUPAC(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one
SMILESO=C1O[C@@]2(c3ccccn3)CC[C@H]3CCC[C@@H]1[C@H]32
InChIInChI=1S/C15H17NO2/c17-14-11-5-3-4-10-7-8-15(18-14,13(10)11)12-6-1-2-9-16-12/h1-2,6,9-11,13H,3-5,7-8H2/t10-,11-,13+,15-/m1/s1
InChIKeyVLORXZJMNMOZNT-UQFNBPPOSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds1

About (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one

(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one (PubChem CID 53306008) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one.

Molecular Properties

Compound Name(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one
PubChem CID53306008
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one
SMILESO=C1O[C@@]2(c3ccccn3)CC[C@H]3CCC[C@@H]1[C@H]32
InChIInChI=1S/C15H17NO2/c17-14-11-5-3-4-10-7-8-15(18-14,13(10)11)12-6-1-2-9-16-12/h1-2,6,9-11,13H,3-5,7-8H2/t10-,11-,13+,15-/m1/s1
InChIKeyVLORXZJMNMOZNT-UQFNBPPOSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one?
The IUPAC name of (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one (CID 53306008) is (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one.
What is the SMILES notation for (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one?
The canonical SMILES for (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one is O=C1O[C@@]2(c3ccccn3)CC[C@H]3CCC[C@@H]1[C@H]32.
What is the InChIKey of (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one?
The InChIKey is VLORXZJMNMOZNT-UQFNBPPOSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-11-5-3-4-10-7-8-15(18-14,13(10)11)12-6-1-2-9-16-12/h1-2,6,9-11,13H,3-5,7-8H2/t10-,11-,13+,15-/m1/s1.
What are the key properties of (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one?
(1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,11S)-4-pyridin-2-yl-3-oxatricyclo[5.3.1.04,11]undecan-2-one is sourced from PubChem (CID 53306008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).