3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one

C14H8N2O2 — CID 74057551

IUPAC3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one
SMILESO=C1C=CC=CC1=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H8N2O2/c17-12-8-4-1-5-9(12)13-14(18)16-11-7-3-2-6-10(11)15-13/h1-8H
InChIKeyCDVSRAQLXSAJJI-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.42
Rot. Bonds

About 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one

3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one (PubChem CID 74057551) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one.

Molecular Properties

Compound Name3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one
PubChem CID74057551
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one
SMILESO=C1C=CC=CC1=C1N=c2ccccc2=NC1=O
InChIInChI=1S/C14H8N2O2/c17-12-8-4-1-5-9(12)13-14(18)16-11-7-3-2-6-10(11)15-13/h1-8H
InChIKeyCDVSRAQLXSAJJI-UHFFFAOYSA-N
XLogP0.42
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 6712942
copper;bis(3-(hydroxyamino)indol-2-one)
CID 5473478
3-aminoprop-2-enylphosphonic acid;quinoxaline-2,3-dione
CID 68765486
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
cyclohepta-4,6-diene-1,2,3-trione;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 159253818
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iridium;2-methylidenebenzimidazole
CID 173124515

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one?
The IUPAC name of 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one (CID 74057551) is 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one.
What is the SMILES notation for 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one?
The canonical SMILES for 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one is O=C1C=CC=CC1=C1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one?
The InChIKey is CDVSRAQLXSAJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-12-8-4-1-5-9(12)13-14(18)16-11-7-3-2-6-10(11)15-13/h1-8H.
What are the key properties of 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one?
3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one has a molecular weight of 236.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxocyclohexa-2,4-dien-1-ylidene)quinoxalin-2-one is sourced from PubChem (CID 74057551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).