N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine

C12H11ClN2 — CID 708140

IUPACN-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc[nH]1
InChIInChI=1S/C12H11ClN2/c1-9-11(13)5-2-6-12(9)15-8-10-4-3-7-14-10/h2-8,14H,1H3/b15-8+
InChIKeyHQEMBRIWVKZZFG-OVCLIPMQSA-N
MW218.69 g/mol
LogP3.73
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine

N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 708140) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
PubChem CID708140
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc[nH]1
InChIInChI=1S/C12H11ClN2/c1-9-11(13)5-2-6-12(9)15-8-10-4-3-7-14-10/h2-8,14H,1H3/b15-8+
InChIKeyHQEMBRIWVKZZFG-OVCLIPMQSA-N
XLogP3.73
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-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-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine (CID 708140) is N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine is Cc1c(Cl)cccc1/N=C/c1ccc[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is HQEMBRIWVKZZFG-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-9-11(13)5-2-6-12(9)15-8-10-4-3-7-14-10/h2-8,14H,1H3/b15-8+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine?
N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 218.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 708140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).