(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine

C11H14N2O — CID 156896209

IUPAC(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC(C)=C\C1=C\C(C)=N\[H]
InChIInChI=1S/C11H14N2O/c1-7-4-9(6-8(2)12)11(13)10(5-7)14-3/h4-6,12-13H,1-3H3/b9-6-,12-8+,13-11-
InChIKeyQQFVFXPHBJTOKV-MUVVQYCZSA-N
MW190.25 g/mol
LogP2.46
Rot. Bonds2

About (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine

(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine (PubChem CID 156896209) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
PubChem CID156896209
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C(OC)=CC(C)=C\C1=C\C(C)=N\[H]
InChIInChI=1S/C11H14N2O/c1-7-4-9(6-8(2)12)11(13)10(5-7)14-3/h4-6,12-13H,1-3H3/b9-6-,12-8+,13-11-
InChIKeyQQFVFXPHBJTOKV-MUVVQYCZSA-N
XLogP2.46
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.46
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 (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine (CID 156896209) is (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C(OC)=CC(C)=C\C1=C\C(C)=N\[H].
What is the InChIKey of (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is QQFVFXPHBJTOKV-MUVVQYCZSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-9(6-8(2)12)11(13)10(5-7)14-3/h4-6,12-13H,1-3H3/b9-6-,12-8+,13-11-.
What are the key properties of (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine?
(6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 190.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(2-iminopropylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 156896209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).