(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine

C12H16N2O2 — CID 134313135

IUPAC(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
SMILESC=N/C(C)=C1/C=C(OC)C(OC)=C/C1=N\C
InChIInChI=1S/C12H16N2O2/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-7H,2H2,1,3-5H3/b9-8-,14-10+
InChIKeyFCWKGUSRUKRGBB-MYSCJDEHSA-N
MW220.27 g/mol
LogP2.11
Rot. Bonds3

About (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine

(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine (PubChem CID 134313135) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
PubChem CID134313135
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
SMILESC=N/C(C)=C1/C=C(OC)C(OC)=C/C1=N\C
InChIInChI=1S/C12H16N2O2/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-7H,2H2,1,3-5H3/b9-8-,14-10+
InChIKeyFCWKGUSRUKRGBB-MYSCJDEHSA-N
XLogP2.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine (CID 134313135) is (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine is C=N/C(C)=C1/C=C(OC)C(OC)=C/C1=N\C.
What is the InChIKey of (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine?
The InChIKey is FCWKGUSRUKRGBB-MYSCJDEHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(13-2)9-6-11(15-4)12(16-5)7-10(9)14-3/h6-7H,2H2,1,3-5H3/b9-8-,14-10+.
What are the key properties of (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine?
(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine has a molecular weight of 220.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 134313135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).