5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one

C10H5NO3 — CID 175460541

IUPAC5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one
SMILESO=c1oc(O)c2c3c(cccc13)N=C2
InChIInChI=1S/C10H5NO3/c12-9-5-2-1-3-7-8(5)6(4-11-7)10(13)14-9/h1-4,13H
InChIKeyFOXWPGZTZHFMEW-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.56
Rot. Bonds

About 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one

5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one (PubChem CID 175460541) has the molecular formula C10H5NO3 and a molecular weight of 187.15 g/mol. Its IUPAC name is 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one.

Molecular Properties

Compound Name5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one
PubChem CID175460541
Molecular FormulaC10H5NO3
Molecular Weight187.15 g/mol
Exact Mass187.03
IUPAC Name5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one
SMILESO=c1oc(O)c2c3c(cccc13)N=C2
InChIInChI=1S/C10H5NO3/c12-9-5-2-1-3-7-8(5)6(4-11-7)10(13)14-9/h1-4,13H
InChIKeyFOXWPGZTZHFMEW-UHFFFAOYSA-N
XLogP1.56
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one?
The IUPAC name of 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one (CID 175460541) is 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one.
What is the SMILES notation for 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one?
The canonical SMILES for 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one is O=c1oc(O)c2c3c(cccc13)N=C2.
What is the InChIKey of 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one?
The InChIKey is FOXWPGZTZHFMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO3/c12-9-5-2-1-3-7-8(5)6(4-11-7)10(13)14-9/h1-4,13H.
What are the key properties of 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one?
5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one has a molecular weight of 187.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one is sourced from PubChem (CID 175460541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).