10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione

C17H16N2O4 — CID 123782779

IUPAC10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
SMILESO=C1NC2COCC2n2ccc(=O)c(OCc3ccccc3)c21
InChIInChI=1S/C17H16N2O4/c20-14-6-7-19-13-10-22-9-12(13)18-17(21)15(19)16(14)23-8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2,(H,18,21)
InChIKeyDUEZETCCZHXGJZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.11
Rot. Bonds3

About 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione

10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione (PubChem CID 123782779) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione.

Molecular Properties

Compound Name10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
PubChem CID123782779
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
SMILESO=C1NC2COCC2n2ccc(=O)c(OCc3ccccc3)c21
InChIInChI=1S/C17H16N2O4/c20-14-6-7-19-13-10-22-9-12(13)18-17(21)15(19)16(14)23-8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2,(H,18,21)
InChIKeyDUEZETCCZHXGJZ-UHFFFAOYSA-N
XLogP1.11
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione?
The IUPAC name of 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione (CID 123782779) is 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione.
What is the SMILES notation for 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione?
The canonical SMILES for 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione is O=C1NC2COCC2n2ccc(=O)c(OCc3ccccc3)c21.
What is the InChIKey of 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione?
The InChIKey is DUEZETCCZHXGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-14-6-7-19-13-10-22-9-12(13)18-17(21)15(19)16(14)23-8-11-4-2-1-3-5-11/h1-7,12-13H,8-10H2,(H,18,21).
What are the key properties of 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione?
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione has a molecular weight of 312.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione is sourced from PubChem (CID 123782779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).