(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C13H16N2O4 — CID 148711686

IUPAC(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCOc1c2n(ccc1=O)C[C@@H]1OCC[C@@H](C)N1C2=O
InChIInChI=1S/C13H16N2O4/c1-8-4-6-19-10-7-14-5-3-9(16)12(18-2)11(14)13(17)15(8)10/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyGTLAPUZPSJCKBD-SCZZXKLOSA-N
MW264.28 g/mol
LogP0.45
Rot. Bonds1

About (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 148711686) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID148711686
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESCOc1c2n(ccc1=O)C[C@@H]1OCC[C@@H](C)N1C2=O
InChIInChI=1S/C13H16N2O4/c1-8-4-6-19-10-7-14-5-3-9(16)12(18-2)11(14)13(17)15(8)10/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyGTLAPUZPSJCKBD-SCZZXKLOSA-N
XLogP0.45
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 148711686) is (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is COc1c2n(ccc1=O)C[C@@H]1OCC[C@@H](C)N1C2=O.
What is the InChIKey of (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is GTLAPUZPSJCKBD-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-4-6-19-10-7-14-5-3-9(16)12(18-2)11(14)13(17)15(8)10/h3,5,8,10H,4,6-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 264.28 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 148711686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).