11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione

C15H7NO3 — CID 10776993

IUPAC11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione
SMILESO=C1OC(=O)c2cc3ncccc3c3cccc1c23
InChIInChI=1S/C15H7NO3/c17-14-10-4-1-3-9-8-5-2-6-16-12(8)7-11(13(9)10)15(18)19-14/h1-7H
InChIKeyWAYPBBVHXHAMLW-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.70
Rot. Bonds

About 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione

11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione (PubChem CID 10776993) has the molecular formula C15H7NO3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione.

Molecular Properties

Compound Name11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione
PubChem CID10776993
Molecular FormulaC15H7NO3
Molecular Weight249.23 g/mol
Exact Mass249.04
IUPAC Name11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione
SMILESO=C1OC(=O)c2cc3ncccc3c3cccc1c23
InChIInChI=1S/C15H7NO3/c17-14-10-4-1-3-9-8-5-2-6-16-12(8)7-11(13(9)10)15(18)19-14/h1-7H
InChIKeyWAYPBBVHXHAMLW-UHFFFAOYSA-N
XLogP2.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
CID 86167510
8-[(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-dimethylsilyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 14122170
8-amino-7-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 54008366
10,12-dioxo-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-4-carbonitrile
CID 54291845
4-nitro-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
CID 54531348
8-[(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)sulfanyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 3102891
4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319139
8-[4-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-2,5-bis(trifluoromethyl)phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 156785375
7-amino-8-phenoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 86100953
3,5,11-trioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene-10,12-dione
CID 22623907
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CID 176507808
phenanthro[9,10-f][2]benzofuran-10,12-dione
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Frequently Asked Questions

What is the IUPAC name of 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione?
The IUPAC name of 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione (CID 10776993) is 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione.
What is the SMILES notation for 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione?
The canonical SMILES for 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione is O=C1OC(=O)c2cc3ncccc3c3cccc1c23.
What is the InChIKey of 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione?
The InChIKey is WAYPBBVHXHAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7NO3/c17-14-10-4-1-3-9-8-5-2-6-16-12(8)7-11(13(9)10)15(18)19-14/h1-7H.
What are the key properties of 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione?
11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione has a molecular weight of 249.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-10,12-dione is sourced from PubChem (CID 10776993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).