(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one

C15H17NO3 — CID 10890601

IUPAC(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one
SMILESO=C1OC[C@@H](c2ccccc2)N2O[C@H]3CCC[C@H]3[C@H]12
InChIInChI=1S/C15H17NO3/c17-15-14-11-7-4-8-13(11)19-16(14)12(9-18-15)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12+,13+,14-/m1/s1
InChIKeyLZLCPGFWOHHZBR-ZOBORPQBSA-N
MW259.30 g/mol
LogP2.07
Rot. Bonds1

About (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one

(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one (PubChem CID 10890601) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one.

Molecular Properties

Compound Name(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one
PubChem CID10890601
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one
SMILESO=C1OC[C@@H](c2ccccc2)N2O[C@H]3CCC[C@H]3[C@H]12
InChIInChI=1S/C15H17NO3/c17-15-14-11-7-4-8-13(11)19-16(14)12(9-18-15)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12+,13+,14-/m1/s1
InChIKeyLZLCPGFWOHHZBR-ZOBORPQBSA-N
XLogP2.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one?
The IUPAC name of (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one (CID 10890601) is (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one.
What is the SMILES notation for (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one?
The canonical SMILES for (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one is O=C1OC[C@@H](c2ccccc2)N2O[C@H]3CCC[C@H]3[C@H]12.
What is the InChIKey of (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one?
The InChIKey is LZLCPGFWOHHZBR-ZOBORPQBSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15-14-11-7-4-8-13(11)19-16(14)12(9-18-15)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12+,13+,14-/m1/s1.
What are the key properties of (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one?
(1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one has a molecular weight of 259.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,9R)-9-phenyl-7,11-dioxa-8-azatricyclo[6.4.0.02,6]dodecan-12-one is sourced from PubChem (CID 10890601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).