2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one

C11H7NO5 — CID 19608274

IUPAC2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one
SMILESO=C1c2cc3c(cc2OC2OC=CN12)OCO3
InChIInChI=1S/C11H7NO5/c13-10-6-3-8-9(16-5-15-8)4-7(6)17-11-12(10)1-2-14-11/h1-4,11H,5H2
InChIKeyUZOWWWGTPXDAAB-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.03
Rot. Bonds

About 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one

2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one (PubChem CID 19608274) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one.

Molecular Properties

Compound Name2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one
PubChem CID19608274
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one
SMILESO=C1c2cc3c(cc2OC2OC=CN12)OCO3
InChIInChI=1S/C11H7NO5/c13-10-6-3-8-9(16-5-15-8)4-7(6)17-11-12(10)1-2-14-11/h1-4,11H,5H2
InChIKeyUZOWWWGTPXDAAB-UHFFFAOYSA-N
XLogP1.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,12,14-trioxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-8-one
CID 11776141
4,7,11,13-tetraoxa-16-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),5,9-tetraen-17-one
CID 10198790
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
3-ethyl-7,8-dihydro-2H-[1,4]dioxino[2,3-g][1,3]benzoxazin-4-one
CID 70641618
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
CID 134967336
6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
CID 12531628
4,6-dioxa-12-thia-10-azatetracyclo[7.6.0.03,7.010,13]pentadeca-1,3(7),8-trien-15-one
CID 169153251
4-methyl-3,12,14-trioxa-2-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one
CID 10800377
(7E)-7-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]dioxolo[4,5-g]chromen-8-one
CID 60602407
5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene-13,14-dione
CID 10989576
(5R,6R)-6-phenyl-5-[4-(trifluoromethyl)phenyl]-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 102107549

Frequently Asked Questions

What is the IUPAC name of 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one?
The IUPAC name of 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one (CID 19608274) is 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one.
What is the SMILES notation for 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one?
The canonical SMILES for 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one is O=C1c2cc3c(cc2OC2OC=CN12)OCO3.
What is the InChIKey of 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one?
The InChIKey is UZOWWWGTPXDAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-10-6-3-8-9(16-5-15-8)4-7(6)17-11-12(10)1-2-14-11/h1-4,11H,5H2.
What are the key properties of 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one?
2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one has a molecular weight of 233.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,12,14-tetraoxa-7-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),5,9,11(15)-tetraen-8-one is sourced from PubChem (CID 19608274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).