(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione

C14H10N2O2 — CID 5380560

IUPAC(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione
SMILESO=C1/C=C2/C=CC=CN2C(=O)/C=C2/C=CC=CN12
InChIInChI=1S/C14H10N2O2/c17-13-9-11-5-1-3-7-15(11)14(18)10-12-6-2-4-8-16(12)13/h1-10H/b11-9-,12-10-
InChIKeyQYIWQYXMCYXLMG-HWAYABPNSA-N
MW238.25 g/mol
LogP1.59
Rot. Bonds

About (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione

(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione (PubChem CID 5380560) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione.

Molecular Properties

Compound Name(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione
PubChem CID5380560
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione
SMILESO=C1/C=C2/C=CC=CN2C(=O)/C=C2/C=CC=CN12
InChIInChI=1S/C14H10N2O2/c17-13-9-11-5-1-3-7-15(11)14(18)10-12-6-2-4-8-16(12)13/h1-10H/b11-9-,12-10-
InChIKeyQYIWQYXMCYXLMG-HWAYABPNSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione?
The IUPAC name of (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione (CID 5380560) is (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione.
What is the SMILES notation for (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione?
The canonical SMILES for (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione is O=C1/C=C2/C=CC=CN2C(=O)/C=C2/C=CC=CN12.
What is the InChIKey of (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione?
The InChIKey is QYIWQYXMCYXLMG-HWAYABPNSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-9-11-5-1-3-7-15(11)14(18)10-12-6-2-4-8-16(12)13/h1-10H/b11-9-,12-10-.
What are the key properties of (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione?
(3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione has a molecular weight of 238.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11Z)-1,9-diazatricyclo[10.4.0.04,9]hexadeca-3,5,7,11,13,15-hexaene-2,10-dione is sourced from PubChem (CID 5380560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).