[1-(4-iodophenyl)pyrrol-3-yl]methanamine

C11H11IN2 — CID 68507533

IUPAC[1-(4-iodophenyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(-c2ccc(I)cc2)c1
InChIInChI=1S/C11H11IN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-6,8H,7,13H2
InChIKeyUOHWWRWRTRBQAU-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.54
Rot. Bonds2

About [1-(4-iodophenyl)pyrrol-3-yl]methanamine

[1-(4-iodophenyl)pyrrol-3-yl]methanamine (PubChem CID 68507533) has the molecular formula C11H11IN2 and a molecular weight of 298.13 g/mol. Its IUPAC name is [1-(4-iodophenyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-iodophenyl)pyrrol-3-yl]methanamine
PubChem CID68507533
Molecular FormulaC11H11IN2
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC Name[1-(4-iodophenyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(-c2ccc(I)cc2)c1
InChIInChI=1S/C11H11IN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-6,8H,7,13H2
InChIKeyUOHWWRWRTRBQAU-UHFFFAOYSA-N
XLogP2.54
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(4-iodophenyl)pyrrol-3-yl]methanamine (CID 68507533) is [1-(4-iodophenyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(4-iodophenyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(4-iodophenyl)pyrrol-3-yl]methanamine is NCc1ccn(-c2ccc(I)cc2)c1.
What is the InChIKey of [1-(4-iodophenyl)pyrrol-3-yl]methanamine?
The InChIKey is UOHWWRWRTRBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-6,8H,7,13H2.
What are the key properties of [1-(4-iodophenyl)pyrrol-3-yl]methanamine?
[1-(4-iodophenyl)pyrrol-3-yl]methanamine has a molecular weight of 298.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 68507533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).