9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione

C15H9NO2 — CID 66552597

IUPAC9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
SMILESO=C1C(=O)N2Cc3ccccc3-c3cccc1c32
InChIInChI=1S/C15H9NO2/c17-14-12-7-3-6-11-10-5-2-1-4-9(10)8-16(13(11)12)15(14)18/h1-7H,8H2
InChIKeyCDMASDRKYLKORT-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.40
Rot. Bonds

About 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione

9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione (PubChem CID 66552597) has the molecular formula C15H9NO2 and a molecular weight of 235.24 g/mol. Its IUPAC name is 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione.

Molecular Properties

Compound Name9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
PubChem CID66552597
Molecular FormulaC15H9NO2
Molecular Weight235.24 g/mol
Exact Mass235.06
IUPAC Name9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione
SMILESO=C1C(=O)N2Cc3ccccc3-c3cccc1c32
InChIInChI=1S/C15H9NO2/c17-14-12-7-3-6-11-10-5-2-1-4-9(10)8-16(13(11)12)15(14)18/h1-7H,8H2
InChIKeyCDMASDRKYLKORT-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 10989576
7-methyl-7,10-diazatetracyclo[8.7.1.05,18.012,17]octadeca-1(18),2,4,12,14,16-hexaene-6,9-dione
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(3S)-1,7-diazapentacyclo[11.7.1.03,7.09,21.014,19]henicosa-9,11,13(21),14,16,18-hexaene-2,8-dione
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CID 2836108
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CID 168517450
6-amino-2-(2,6-dimethylphenyl)-3H-isoindol-1-one
CID 82165706
9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaene
CID 69216825
5H-isoindolo[2,3-b]isoquinolin-7-one
CID 11817150
4-(1,3-dioxoisoindol-2-yl)-3,6-dioxo-5-(3-oxo-1H-isoindol-2-yl)cyclohexa-1,4-diene-1,2-dicarbonitrile
CID 91316415

Frequently Asked Questions

What is the IUPAC name of 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The IUPAC name of 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione (CID 66552597) is 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione.
What is the SMILES notation for 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The canonical SMILES for 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione is O=C1C(=O)N2Cc3ccccc3-c3cccc1c32.
What is the InChIKey of 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
The InChIKey is CDMASDRKYLKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2/c17-14-12-7-3-6-11-10-5-2-1-4-9(10)8-16(13(11)12)15(14)18/h1-7H,8H2.
What are the key properties of 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione?
9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione has a molecular weight of 235.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,12,14-hexaene-10,11-dione is sourced from PubChem (CID 66552597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).