N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine

C12H11IN2 — CID 126106163

IUPACN-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCn1cccc1/C=N/c1ccc(I)cc1
InChIInChI=1S/C12H11IN2/c1-15-8-2-3-12(15)9-14-11-6-4-10(13)5-7-11/h2-9H,1H3/b14-9+
InChIKeyLURZRZWZTMZAQC-NTEUORMPSA-N
MW310.14 g/mol
LogP3.38
Rot. Bonds2

About N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine

N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine (PubChem CID 126106163) has the molecular formula C12H11IN2 and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine
PubChem CID126106163
Molecular FormulaC12H11IN2
Molecular Weight310.14 g/mol
Exact Mass310.00
IUPAC NameN-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine
SMILESCn1cccc1/C=N/c1ccc(I)cc1
InChIInChI=1S/C12H11IN2/c1-15-8-2-3-12(15)9-14-11-6-4-10(13)5-7-11/h2-9H,1H3/b14-9+
InChIKeyLURZRZWZTMZAQC-NTEUORMPSA-N
XLogP3.38
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135445761
CID 135445761
CID 7975
CID 7975
CID 7521
CID 7521
CID 135398747
CID 135398747
CID 69320
CID 69320
CID 135410029
CID 135410029
CID 16800
CID 16800
CID 7523
CID 7523
CID 78750
CID 78750
CID 10249
CID 10249
CID 238317
CID 238317
CID 70797
CID 70797

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The IUPAC name of N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine (CID 126106163) is N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine is Cn1cccc1/C=N/c1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine?
The InChIKey is LURZRZWZTMZAQC-NTEUORMPSA-N. The full InChI is InChI=1S/C12H11IN2/c1-15-8-2-3-12(15)9-14-11-6-4-10(13)5-7-11/h2-9H,1H3/b14-9+.
What are the key properties of N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine?
N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine has a molecular weight of 310.14 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-(1-methylpyrrol-2-yl)methanimine is sourced from PubChem (CID 126106163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).