N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine

C12H12N2 — CID 15544551

IUPACN,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine
SMILESC1=CC(/N=C/C=N/C2C=CC=C2)C=C1
InChIInChI=1S/C12H12N2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-12H/b13-9+,14-10+
InChIKeyWNKMRXUTNKDPEA-UTLPMFLDSA-N
MW184.24 g/mol
LogP2.12
Rot. Bonds3

About N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine

N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine (PubChem CID 15544551) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine
PubChem CID15544551
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC NameN,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine
SMILESC1=CC(/N=C/C=N/C2C=CC=C2)C=C1
InChIInChI=1S/C12H12N2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-12H/b13-9+,14-10+
InChIKeyWNKMRXUTNKDPEA-UTLPMFLDSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine?
The IUPAC name of N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine (CID 15544551) is N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine?
The canonical SMILES for N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine is C1=CC(/N=C/C=N/C2C=CC=C2)C=C1.
What is the InChIKey of N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine?
The InChIKey is WNKMRXUTNKDPEA-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h1-12H/b13-9+,14-10+.
What are the key properties of N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine?
N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine has a molecular weight of 184.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine is sourced from PubChem (CID 15544551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).