4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one

C11H8N2O3 — CID 102283248

IUPAC4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one
SMILESO=c1[nH]cc2n1Cc1cc3c(cc1-2)OCO3
InChIInChI=1S/C11H8N2O3/c14-11-12-3-8-7-2-10-9(15-5-16-10)1-6(7)4-13(8)11/h1-3H,4-5H2,(H,12,14)
InChIKeyVHUZPYKDKCSJQX-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.93
Rot. Bonds

About 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one

4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one (PubChem CID 102283248) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one.

Molecular Properties

Compound Name4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one
PubChem CID102283248
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one
SMILESO=c1[nH]cc2n1Cc1cc3c(cc1-2)OCO3
InChIInChI=1S/C11H8N2O3/c14-11-12-3-8-7-2-10-9(15-5-16-10)1-6(7)4-13(8)11/h1-3H,4-5H2,(H,12,14)
InChIKeyVHUZPYKDKCSJQX-UHFFFAOYSA-N
XLogP0.93
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
13,15-dioxa-7-azatetracyclo[8.7.0.02,6.012,16]heptadeca-1(17),2(6),10,12(16)-tetraen-3-one
CID 12861075
5,7-dioxa-12-azatetracyclo[10.5.2.02,10.04,8]nonadeca-1(17),2,4(8),9-tetraen-13-one
CID 12004086
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
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
6,8,8a,9-tetrahydro-5aH-[2]benzofuro[5,6-f][1,3]benzodioxol-5-one
CID 154326263
17-methyl-5,7-dioxa-12,13,14-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
CID 71658546
2-(4-fluorophenyl)-4-imino-6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizine-3-carbonitrile
CID 4971887
5-acetyl-3-(1,3-benzodioxol-5-yl)-1H-pyrimidine-2,4-dione
CID 80643686
4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
CID 55237902

Frequently Asked Questions

What is the IUPAC name of 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one?
The IUPAC name of 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one (CID 102283248) is 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one.
What is the SMILES notation for 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one?
The canonical SMILES for 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one is O=c1[nH]cc2n1Cc1cc3c(cc1-2)OCO3.
What is the InChIKey of 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one?
The InChIKey is VHUZPYKDKCSJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11-12-3-8-7-2-10-9(15-5-16-10)1-6(7)4-13(8)11/h1-3H,4-5H2,(H,12,14).
What are the key properties of 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one?
4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one has a molecular weight of 216.20 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dioxa-12,14-diazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10-tetraen-13-one is sourced from PubChem (CID 102283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).