4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine

C12H12N2O — CID 175461010

IUPAC4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC2=CC/C(=N\[H])C=C2)=CC1
InChIInChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,3,5-8,13-14H,2,4H2/b13-9-,14-10+
InChIKeyFCFAOJHUKPTVLH-ZKLMZBBOSA-N
MW200.24 g/mol
LogP2.73
Rot. Bonds2

About 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine

4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine (PubChem CID 175461010) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
PubChem CID175461010
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC2=CC/C(=N\[H])C=C2)=CC1
InChIInChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,3,5-8,13-14H,2,4H2/b13-9-,14-10+
InChIKeyFCFAOJHUKPTVLH-ZKLMZBBOSA-N
XLogP2.73
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine (CID 175461010) is 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(OC2=CC/C(=N\[H])C=C2)=CC1.
What is the InChIKey of 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The InChIKey is FCFAOJHUKPTVLH-ZKLMZBBOSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1,3,5-8,13-14H,2,4H2/b13-9-,14-10+.
What are the key properties of 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine has a molecular weight of 200.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 175461010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).