10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione

C10H7NO3 — CID 643295

IUPAC10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione
SMILESO=c1oc(=O)n2c3c(cccc13)CC2
InChIInChI=1S/C10H7NO3/c12-9-7-3-1-2-6-4-5-11(8(6)7)10(13)14-9/h1-3H,4-5H2
InChIKeyUFXPZKRNMCHMIH-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.51
Rot. Bonds

About 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione

10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione (PubChem CID 643295) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione.

Molecular Properties

Compound Name10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione
PubChem CID643295
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione
SMILESO=c1oc(=O)n2c3c(cccc13)CC2
InChIInChI=1S/C10H7NO3/c12-9-7-3-1-2-6-4-5-11(8(6)7)10(13)14-9/h1-3H,4-5H2
InChIKeyUFXPZKRNMCHMIH-UHFFFAOYSA-N
XLogP0.51
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methylisatoic anhydride
CID 25160
(2-Oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) benzoate
CID 2786128
N-Benzylisatoic anhydride
CID 520756
8-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
CID 2759870
N-ethylisatoic anhydride
CID 3249856
1-[3-(Perfluorooctyl)propyl]-3,1-benzoxazine-2,4(1H)-dione
CID 11411015
4-oxo-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl benzoate
CID 2816400
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
CID 2816529
1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate
CID 363568
N-Allylisatoic anhydride
CID 735787
N-(cyclopropylmethyl)isatoic anhydride
CID 11672969
Methyl 1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 11052456

Frequently Asked Questions

What is the IUPAC name of 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione?
The IUPAC name of 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione (CID 643295) is 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione.
What is the SMILES notation for 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione?
The canonical SMILES for 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione is O=c1oc(=O)n2c3c(cccc13)CC2.
What is the InChIKey of 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione?
The InChIKey is UFXPZKRNMCHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-9-7-3-1-2-6-4-5-11(8(6)7)10(13)14-9/h1-3H,4-5H2.
What are the key properties of 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione?
10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione has a molecular weight of 189.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione is sourced from PubChem (CID 643295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).