(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione

C8H10N2O2 — CID 6313653

IUPAC(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
SMILESO=C1NC2C/C=C\CC1NC2=O
InChIInChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(10-7)8(12)9-5/h1-2,5-6H,3-4H2,(H,9,12)(H,10,11)/b2-1-
InChIKeyFPQNVIWRNVJROV-UPHRSURJSA-N
MW166.18 g/mol
LogP-0.68
Rot. Bonds

About (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione

(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione (PubChem CID 6313653) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione.

Molecular Properties

Compound Name(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
PubChem CID6313653
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
SMILESO=C1NC2C/C=C\CC1NC2=O
InChIInChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(10-7)8(12)9-5/h1-2,5-6H,3-4H2,(H,9,12)(H,10,11)/b2-1-
InChIKeyFPQNVIWRNVJROV-UPHRSURJSA-N
XLogP-0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3Z,6R)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 12152578
3,9-Diazabicyclo[3.3.1]non-6-en-2-one
CID 69409088
7,9-Diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 5255402
3-Amino-1,3,4,7,8,9-hexahydro-2h-azonin-2-one
CID 129826304
(9Z)-1,2,3,4,7,8,11,11a-octahydropyrazino[1,2-a]azocin-6-one
CID 21882401
1,2,3,6-Tetrahydropyridine-2-carboxamide
CID 55291049
3-(Prop-2-en-1-yl)piperazine-2,5-dione
CID 57358332
2-acetamido-N-methylpent-4-enamide
CID 58637759
(1S,3Z,6S)-7-methyl-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 59686819
3,6-Bis(ethenyl)piperazine-2,5-dione
CID 59711095
3,6-Bis(prop-2-enyl)piperazine-2,5-dione
CID 67050126
1-Cyclopent-3-en-1-ylpiperazin-2-one
CID 67085144

Frequently Asked Questions

What is the IUPAC name of (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione?
The IUPAC name of (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione (CID 6313653) is (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione.
What is the SMILES notation for (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione?
The canonical SMILES for (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione is O=C1NC2C/C=C\CC1NC2=O.
What is the InChIKey of (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione?
The InChIKey is FPQNVIWRNVJROV-UPHRSURJSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(10-7)8(12)9-5/h1-2,5-6H,3-4H2,(H,9,12)(H,10,11)/b2-1-.
What are the key properties of (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione?
(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione has a molecular weight of 166.18 g/mol, XLogP of -0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione is sourced from PubChem (CID 6313653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).