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

C11H10N2 — CID 102184659

IUPACN,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine
SMILESC(=NC1C=CC=C1)=NC1C=CC=C1
InChIInChI=1S/C11H10N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-8,10-11H
InChIKeyCDYLCARUMOWKSS-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.15
Rot. Bonds2

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

N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine (PubChem CID 102184659) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine.

Molecular Properties

Compound NameN,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine
PubChem CID102184659
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC NameN,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine
SMILESC(=NC1C=CC=C1)=NC1C=CC=C1
InChIInChI=1S/C11H10N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-8,10-11H
InChIKeyCDYLCARUMOWKSS-UHFFFAOYSA-N
XLogP2.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenta-2,4-dien-1-ylguanidine
CID 133083946
N,N'-di(cyclopenta-2,4-dien-1-yl)ethane-1,2-diimine
CID 15544551

Frequently Asked Questions

What is the IUPAC name of N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine?
The IUPAC name of N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine (CID 102184659) is N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine.
What is the SMILES notation for N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine?
The canonical SMILES for N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine is C(=NC1C=CC=C1)=NC1C=CC=C1.
What is the InChIKey of N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine?
The InChIKey is CDYLCARUMOWKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-6-10(5-1)12-9-13-11-7-3-4-8-11/h1-8,10-11H.
What are the key properties of N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine?
N,N'-di(cyclopenta-2,4-dien-1-yl)methanediimine has a molecular weight of 170.21 g/mol, XLogP of 2.15, 2 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)methanediimine is sourced from PubChem (CID 102184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).