(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione

C17H19NO3 — CID 10869868

IUPAC(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione
SMILESCC12CC(=O)OC/C=C/CCCN1C(=O)c1ccccc12
InChIInChI=1S/C17H19NO3/c1-17-12-15(19)21-11-7-3-2-6-10-18(17)16(20)13-8-4-5-9-14(13)17/h3-5,7-9H,2,6,10-12H2,1H3/b7-3+
InChIKeyTWZPLWYJTGARDG-XVNBXDOJSA-N
MW285.34 g/mol
LogP2.64
Rot. Bonds

About (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione

(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione (PubChem CID 10869868) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione.

Molecular Properties

Compound Name(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione
PubChem CID10869868
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione
SMILESCC12CC(=O)OC/C=C/CCCN1C(=O)c1ccccc12
InChIInChI=1S/C17H19NO3/c1-17-12-15(19)21-11-7-3-2-6-10-18(17)16(20)13-8-4-5-9-14(13)17/h3-5,7-9H,2,6,10-12H2,1H3/b7-3+
InChIKeyTWZPLWYJTGARDG-XVNBXDOJSA-N
XLogP2.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione?
The IUPAC name of (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione (CID 10869868) is (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione.
What is the SMILES notation for (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione?
The canonical SMILES for (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione is CC12CC(=O)OC/C=C/CCCN1C(=O)c1ccccc12.
What is the InChIKey of (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione?
The InChIKey is TWZPLWYJTGARDG-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17-12-15(19)21-11-7-3-2-6-10-18(17)16(20)13-8-4-5-9-14(13)17/h3-5,7-9H,2,6,10-12H2,1H3/b7-3+.
What are the key properties of (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione?
(5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione has a molecular weight of 285.34 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-11-methyl-8-oxa-1-azatricyclo[9.7.0.012,17]octadeca-5,12,14,16-tetraene-9,18-dione is sourced from PubChem (CID 10869868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).