5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione

C18H14N4O2 — CID 134822310

IUPAC5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione
SMILESNc1ccc(/N=c2\c(=O)ccc(=O)\c2=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C18H14N4O2/c19-11-1-5-13(6-2-11)21-17-15(23)9-10-16(24)18(17)22-14-7-3-12(20)4-8-14/h1-10H,19-20H2/b21-17+,22-18+
InChIKeyUOEPVOMUJYAGFT-KSTNYAOJSA-N
MW318.34 g/mol
LogP0.91
Rot. Bonds2

About 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione

5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione (PubChem CID 134822310) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione
PubChem CID134822310
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione
SMILESNc1ccc(/N=c2\c(=O)ccc(=O)\c2=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C18H14N4O2/c19-11-1-5-13(6-2-11)21-17-15(23)9-10-16(24)18(17)22-14-7-3-12(20)4-8-14/h1-10H,19-20H2/b21-17+,22-18+
InChIKeyUOEPVOMUJYAGFT-KSTNYAOJSA-N
XLogP0.91
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione?
The IUPAC name of 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione (CID 134822310) is 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione?
The canonical SMILES for 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione is Nc1ccc(/N=c2\c(=O)ccc(=O)\c2=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione?
The InChIKey is UOEPVOMUJYAGFT-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-11-1-5-13(6-2-11)21-17-15(23)9-10-16(24)18(17)22-14-7-3-12(20)4-8-14/h1-10H,19-20H2/b21-17+,22-18+.
What are the key properties of 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione?
5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione has a molecular weight of 318.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[(4-aminophenyl)imino]cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 134822310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).