(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

C16H20N2O — CID 14337792

IUPAC(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1OC(c3ccccn3)=N[C@H]21
InChIInChI=1S/C16H20N2O/c1-15(2)10-7-8-16(15,3)13-12(10)18-14(19-13)11-6-4-5-9-17-11/h4-6,9-10,12-13H,7-8H2,1-3H3/t10-,12-,13-,16+/m1/s1
InChIKeyVEKZGTRLRJDYIN-VSBTWAGUSA-N
MW256.35 g/mol
LogP3.05
Rot. Bonds1

About (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene

(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene (PubChem CID 14337792) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene.

Molecular Properties

Compound Name(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
PubChem CID14337792
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1OC(c3ccccn3)=N[C@H]21
InChIInChI=1S/C16H20N2O/c1-15(2)10-7-8-16(15,3)13-12(10)18-14(19-13)11-6-4-5-9-17-11/h4-6,9-10,12-13H,7-8H2,1-3H3/t10-,12-,13-,16+/m1/s1
InChIKeyVEKZGTRLRJDYIN-VSBTWAGUSA-N
XLogP3.05
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The IUPAC name of (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene (CID 14337792) is (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene.
What is the SMILES notation for (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The canonical SMILES for (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1OC(c3ccccn3)=N[C@H]21.
What is the InChIKey of (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
The InChIKey is VEKZGTRLRJDYIN-VSBTWAGUSA-N. The full InChI is InChI=1S/C16H20N2O/c1-15(2)10-7-8-16(15,3)13-12(10)18-14(19-13)11-6-4-5-9-17-11/h4-6,9-10,12-13H,7-8H2,1-3H3/t10-,12-,13-,16+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene?
(1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene has a molecular weight of 256.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-1,10,10-trimethyl-4-pyridin-2-yl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-ene is sourced from PubChem (CID 14337792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).