N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline

C9H9ClIN — CID 103791947

IUPACN-[(E)-3-chloroprop-2-enyl]-2-iodoaniline
SMILESCl/C=C/CNc1ccccc1I
InChIInChI=1S/C9H9ClIN/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-6,12H,7H2/b6-3+
InChIKeyXPJYSYVZBJJBBJ-ZZXKWVIFSA-N
MW293.54 g/mol
LogP3.46
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline

N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline (PubChem CID 103791947) has the molecular formula C9H9ClIN and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2-iodoaniline
PubChem CID103791947
Molecular FormulaC9H9ClIN
Molecular Weight293.54 g/mol
Exact Mass292.95
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2-iodoaniline
SMILESCl/C=C/CNc1ccccc1I
InChIInChI=1S/C9H9ClIN/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-6,12H,7H2/b6-3+
InChIKeyXPJYSYVZBJJBBJ-ZZXKWVIFSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline (CID 103791947) is N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline is Cl/C=C/CNc1ccccc1I.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline?
The InChIKey is XPJYSYVZBJJBBJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H9ClIN/c10-6-3-7-12-9-5-2-1-4-8(9)11/h1-6,12H,7H2/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline?
N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline has a molecular weight of 293.54 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline is sourced from PubChem (CID 103791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).