(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine

C14H12N2 — CID 89268277

IUPAC(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine
SMILESC=C1C=CC=C1/C=N/N=C/C1=CC=CC1=C
InChIInChI=1S/C14H12N2/c1-11-5-3-7-13(11)9-15-16-10-14-8-4-6-12(14)2/h3-10H,1-2H2/b15-9+,16-10+
InChIKeyIRKBNXABQUNWRS-KAVGSWPWSA-N
MW208.26 g/mol
LogP3.15
Rot. Bonds3

About (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine

(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine (PubChem CID 89268277) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine
PubChem CID89268277
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine
SMILESC=C1C=CC=C1/C=N/N=C/C1=CC=CC1=C
InChIInChI=1S/C14H12N2/c1-11-5-3-7-13(11)9-15-16-10-14-8-4-6-12(14)2/h3-10H,1-2H2/b15-9+,16-10+
InChIKeyIRKBNXABQUNWRS-KAVGSWPWSA-N
XLogP3.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Methanimidoylcyclopenta-1,3-dien-1-yl)methanimine
CID 91289315
(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine
CID 12744271
(E,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
CID 57663871
(Z)-[(Z,2E)-3-ethenyl-2-ethylidenepent-3-enylidene]hydrazine
CID 89088679
(4E,5E)-4,5-di(ethylidene)pyridazine
CID 89088813
(Z)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(Z)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine
CID 89268279
(Z)-[(3Z,5Z)-2-methylidenenona-3,5,8-trienylidene]hydrazine
CID 89336051
(E)-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]hydrazine
CID 89535302
(E)-cyclohexa-1,5-dien-1-ylmethylidenehydrazine
CID 90051247
butane;(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine
CID 91068178
(Z,3Z)-2-methylidene-N-(methylideneamino)hexa-3,5-dien-1-imine;propane
CID 91091857
8H-cyclohepta[d]pyridazine
CID 91163793

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine (CID 89268277) is (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine is C=C1C=CC=C1/C=N/N=C/C1=CC=CC1=C.
What is the InChIKey of (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine?
The InChIKey is IRKBNXABQUNWRS-KAVGSWPWSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-5-3-7-13(11)9-15-16-10-14-8-4-6-12(14)2/h3-10H,1-2H2/b15-9+,16-10+.
What are the key properties of (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine?
(E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine has a molecular weight of 208.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylidenecyclopenta-1,3-dien-1-yl)-N-[(E)-(5-methylidenecyclopenta-1,3-dien-1-yl)methylideneamino]methanimine is sourced from PubChem (CID 89268277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).