3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

C13H8N2O3 — CID 10037274

IUPAC3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESO=C1OC(O)c2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C13H8N2O3/c16-12-10-9-6-3-1-2-4-7(6)15-8(9)5-14-11(10)13(17)18-12/h1-5,12,15-16H
InChIKeyHZOBEPXZYNIFGY-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.88
Rot. Bonds

About 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (PubChem CID 10037274) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.

Molecular Properties

Compound Name3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
PubChem CID10037274
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESO=C1OC(O)c2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C13H8N2O3/c16-12-10-9-6-3-1-2-4-7(6)15-8(9)5-14-11(10)13(17)18-12/h1-5,12,15-16H
InChIKeyHZOBEPXZYNIFGY-UHFFFAOYSA-N
XLogP1.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The IUPAC name of 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (CID 10037274) is 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.
What is the SMILES notation for 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The canonical SMILES for 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is O=C1OC(O)c2c1ncc1[nH]c3ccccc3c21.
What is the InChIKey of 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The InChIKey is HZOBEPXZYNIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-12-10-9-6-3-1-2-4-7(6)15-8(9)5-14-11(10)13(17)18-12/h1-5,12,15-16H.
What are the key properties of 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one has a molecular weight of 240.22 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is sourced from PubChem (CID 10037274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).