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

C11H11N — CID 12072454

IUPACN,1-di(cyclopenta-2,4-dien-1-yl)methanimine
SMILESC1=CC(/C=N/C2C=CC=C2)C=C1
InChIInChI=1S/C11H11N/c1-2-6-10(5-1)9-12-11-7-3-4-8-11/h1-11H/b12-9+
InChIKeyCFOYSMXHVSDQTC-FMIVXFBMSA-N
MW157.22 g/mol
LogP2.29
Rot. Bonds2

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

N,1-di(cyclopenta-2,4-dien-1-yl)methanimine (PubChem CID 12072454) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is N,1-di(cyclopenta-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN,1-di(cyclopenta-2,4-dien-1-yl)methanimine
PubChem CID12072454
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC NameN,1-di(cyclopenta-2,4-dien-1-yl)methanimine
SMILESC1=CC(/C=N/C2C=CC=C2)C=C1
InChIInChI=1S/C11H11N/c1-2-6-10(5-1)9-12-11-7-3-4-8-11/h1-11H/b12-9+
InChIKeyCFOYSMXHVSDQTC-FMIVXFBMSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1-di(cyclopenta-2,4-dien-1-yl)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 N,1-di(cyclopenta-2,4-dien-1-yl)methanimine?
The IUPAC name of N,1-di(cyclopenta-2,4-dien-1-yl)methanimine (CID 12072454) is N,1-di(cyclopenta-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N,1-di(cyclopenta-2,4-dien-1-yl)methanimine?
The canonical SMILES for N,1-di(cyclopenta-2,4-dien-1-yl)methanimine is C1=CC(/C=N/C2C=CC=C2)C=C1.
What is the InChIKey of N,1-di(cyclopenta-2,4-dien-1-yl)methanimine?
The InChIKey is CFOYSMXHVSDQTC-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H11N/c1-2-6-10(5-1)9-12-11-7-3-4-8-11/h1-11H/b12-9+.
What are the key properties of N,1-di(cyclopenta-2,4-dien-1-yl)methanimine?
N,1-di(cyclopenta-2,4-dien-1-yl)methanimine has a molecular weight of 157.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(cyclopenta-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 12072454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).