(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine

C12H8N2 — CID 177460529

IUPAC(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine
SMILESC1=CC=CC=1/C=N/N=C/C1=C=CC=C1
InChIInChI=1S/C12H8N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H/b13-9+,14-10+
InChIKeyZZLCYMHVXFTQHB-UTLPMFLDSA-N
MW180.21 g/mol
LogP2.35
Rot. Bonds3

About (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine

(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine (PubChem CID 177460529) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine
PubChem CID177460529
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine
SMILESC1=CC=CC=1/C=N/N=C/C1=C=CC=C1
InChIInChI=1S/C12H8N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H/b13-9+,14-10+
InChIKeyZZLCYMHVXFTQHB-UTLPMFLDSA-N
XLogP2.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine (CID 177460529) is (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine is C1=CC=CC=1/C=N/N=C/C1=C=CC=C1.
What is the InChIKey of (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine?
The InChIKey is ZZLCYMHVXFTQHB-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H/b13-9+,14-10+.
What are the key properties of (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine?
(E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine has a molecular weight of 180.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopenta-1,2,4-trien-1-yl-N-[(E)-cyclopenta-1,2,4-trien-1-ylmethylideneamino]methanimine is sourced from PubChem (CID 177460529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).