6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine

C12H12N2O — CID 141112183

IUPAC6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1OC1C=CC=C/C1=N\[H]
InChIInChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,11-14H/b13-9+,14-10+
InChIKeyTZJCKUCLNWVLOC-UTLPMFLDSA-N
MW200.24 g/mol
LogP2.03
Rot. Bonds2

About 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine

6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine (PubChem CID 141112183) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
PubChem CID141112183
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1OC1C=CC=C/C1=N\[H]
InChIInChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,11-14H/b13-9+,14-10+
InChIKeyTZJCKUCLNWVLOC-UTLPMFLDSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
CID 141049801
2-hydroxy-2-(6-iminocyclohexa-2,4-dien-1-yl)acetic acid
CID 154344498
6-[fluoro(phenyl)methyl]cyclohexa-2,4-dien-1-imine
CID 151273626
1-methyl-4a,8a-dihydroquinolin-4-imine
CID 163905803
5-methoxy-6-sulfonylcyclohexa-1,3-diene
CID 54181841
4-ethyl-6-methylcyclohex-2-en-1-imine
CID 123694075
3-imino-2-[(6E)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]cyclohexa-2,4-dien-1-yl]oxypropanoic acid
CID 139662456
4-imino-4aH-anthracene-9,10-dione
CID 67693376
(6-imino-1-methylcyclohexa-2,4-dien-1-yl)azanium
CID 142810852
3-methyl-3H-pyridin-4-imine
CID 131863961
[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonochloridate
CID 88744243
6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
CID 141033733

Frequently Asked Questions

What is the IUPAC name of 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine (CID 141112183) is 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1OC1C=CC=C/C1=N\[H].
What is the InChIKey of 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
The InChIKey is TZJCKUCLNWVLOC-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,11-14H/b13-9+,14-10+.
What are the key properties of 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine?
6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine has a molecular weight of 200.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-iminocyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141112183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).