4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine

C12H16N2O — CID 123570697

IUPAC4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=C(OC2=CC/C(=N/[H])CC2)CC1
InChIInChI=1S/C12H16N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5,7,13-14H,1-4,6,8H2/b13-9-,14-10+
InChIKeyLTAKLWMMOJESSR-ZKLMZBBOSA-N
MW204.27 g/mol
LogP3.18
Rot. Bonds2

About 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine

4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine (PubChem CID 123570697) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine.

Molecular Properties

Compound Name4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
PubChem CID123570697
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=C(OC2=CC/C(=N/[H])CC2)CC1
InChIInChI=1S/C12H16N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5,7,13-14H,1-4,6,8H2/b13-9-,14-10+
InChIKeyLTAKLWMMOJESSR-ZKLMZBBOSA-N
XLogP3.18
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine?
The IUPAC name of 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine (CID 123570697) is 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine.
What is the SMILES notation for 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine?
The canonical SMILES for 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine is [H]/N=C1\CC=C(OC2=CC/C(=N/[H])CC2)CC1.
What is the InChIKey of 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine?
The InChIKey is LTAKLWMMOJESSR-ZKLMZBBOSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5,7,13-14H,1-4,6,8H2/b13-9-,14-10+.
What are the key properties of 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine?
4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine has a molecular weight of 204.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine is sourced from PubChem (CID 123570697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).