(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine

C14H14N2O2 — CID 11665908

IUPAC(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine
SMILES[H]/N=C1\C=C/C(=C2/C=C/C(=N\[H])C(OC)=C2)C=C1OC
InChIInChI=1S/C14H14N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8,15-16H,1-2H3/b10-9+,15-11+,16-12+
InChIKeyZPGZQIXQANVQRM-RMMMMZSOSA-N
MW242.28 g/mol
LogP2.52
Rot. Bonds2

About (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine

(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine (PubChem CID 11665908) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine
PubChem CID11665908
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine
SMILES[H]/N=C1\C=C/C(=C2/C=C/C(=N\[H])C(OC)=C2)C=C1OC
InChIInChI=1S/C14H14N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8,15-16H,1-2H3/b10-9+,15-11+,16-12+
InChIKeyZPGZQIXQANVQRM-RMMMMZSOSA-N
XLogP2.52
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-imino-3,4-dimethoxycyclohexa-2,4-diene-1-thione
CID 101233754
2-methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
2-methoxycyclohexa-2,4-dien-1-imine
CID 68995450
2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine
CID 54361792
5-methoxy-1-(3-methylbutan-2-yl)pyridin-2-imine
CID 166787050
4-methyl-2-N-[(Z)-prop-1-enyl]cyclohexa-3,5-diene-1,2-diimine
CID 118361880
5-(2-methoxyphenyl)-1-methylpyrrole-2,3-diimine
CID 166105355
(3,4-diiminocyclohexa-1,5-dien-1-yl)methanol
CID 145492707
2-chlorocyclohexa-2,5-diene-1,4-diimine
CID 53437151
3-(dimethylamino)-6-iminocyclohexa-2,4-diene-1-thione
CID 135056276
5-methoxy-1-methylpyridin-2-imine
CID 166787051
4-fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine?
The IUPAC name of (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine (CID 11665908) is (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine.
What is the SMILES notation for (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine?
The canonical SMILES for (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine is [H]/N=C1\C=C/C(=C2/C=C/C(=N\[H])C(OC)=C2)C=C1OC.
What is the InChIKey of (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine?
The InChIKey is ZPGZQIXQANVQRM-RMMMMZSOSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8,15-16H,1-2H3/b10-9+,15-11+,16-12+.
What are the key properties of (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine?
(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine has a molecular weight of 242.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 11665908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).