(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine

C12H12N2 — CID 12744271

IUPAC(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine
SMILESC1=CCC(/C=N/N=C/C2=CC=CC2)=C1
InChIInChI=1S/C12H12N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b13-9+,14-10+
InChIKeyWYQIZGGBAMCPRZ-UTLPMFLDSA-N
MW184.24 g/mol
LogP2.82
Rot. Bonds3

About (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine

(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine (PubChem CID 12744271) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine
PubChem CID12744271
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine
SMILESC1=CCC(/C=N/N=C/C2=CC=CC2)=C1
InChIInChI=1S/C12H12N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b13-9+,14-10+
InChIKeyWYQIZGGBAMCPRZ-UTLPMFLDSA-N
XLogP2.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.82
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'}

Analyze (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine?
The IUPAC name of (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine (CID 12744271) is (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine.
What is the SMILES notation for (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine?
The canonical SMILES for (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine is C1=CCC(/C=N/N=C/C2=CC=CC2)=C1.
What is the InChIKey of (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine?
The InChIKey is WYQIZGGBAMCPRZ-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-11(5-1)9-13-14-10-12-7-3-4-8-12/h1-5,7,9-10H,6,8H2/b13-9+,14-10+.
What are the key properties of (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine?
(E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine has a molecular weight of 184.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopenta-1,3-dien-1-yl-N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]methanimine is sourced from PubChem (CID 12744271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).