(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene

C13H15NO4 — CID 54290602

IUPAC(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene
SMILESc1c2c(cc3c1OCC[C@H]1NCCO[C@H]31)OCO2
InChIInChI=1S/C13H15NO4/c1-3-15-10-6-12-11(17-7-18-12)5-8(10)13-9(1)14-2-4-16-13/h5-6,9,13-14H,1-4,7H2/t9-,13-/m1/s1
InChIKeyRXFQFDBJXKUENN-NOZJJQNGSA-N
MW249.27 g/mol
LogP1.23
Rot. Bonds

About (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene

(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene (PubChem CID 54290602) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene.

Molecular Properties

Compound Name(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene
PubChem CID54290602
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene
SMILESc1c2c(cc3c1OCC[C@H]1NCCO[C@H]31)OCO2
InChIInChI=1S/C13H15NO4/c1-3-15-10-6-12-11(17-7-18-12)5-8(10)13-9(1)14-2-4-16-13/h5-6,9,13-14H,1-4,7H2/t9-,13-/m1/s1
InChIKeyRXFQFDBJXKUENN-NOZJJQNGSA-N
XLogP1.23
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene with MolForge

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Related Compounds

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10-methoxy-3,4,4a,5,6,11b-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine;hydrochloride
CID 21296361
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
(2R,7R)-8,8-dimethyl-3,9,13,15-tetraoxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16)-triene
CID 11334506
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-7-ol
CID 84673246
2-(1,3-benzodioxol-5-yl)-1,3-oxazolidine
CID 71380359
bis((4aS)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine);(4aR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazine;(4aR)-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromene
CID 164976071
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
N-propan-2-yl-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzoxepin-9-amine
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(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
CID 171192921
2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol
CID 84663247

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene?
The IUPAC name of (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene (CID 54290602) is (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene.
What is the SMILES notation for (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene?
The canonical SMILES for (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene is c1c2c(cc3c1OCC[C@H]1NCCO[C@H]31)OCO2.
What is the InChIKey of (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene?
The InChIKey is RXFQFDBJXKUENN-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-15-10-6-12-11(17-7-18-12)5-8(10)13-9(1)14-2-4-16-13/h5-6,9,13-14H,1-4,7H2/t9-,13-/m1/s1.
What are the key properties of (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene?
(2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene has a molecular weight of 249.27 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-3,10,14,16-tetraoxa-6-azatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),11,13(17)-triene is sourced from PubChem (CID 54290602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).