2-[(E)-1-iodoprop-1-enoxy]aniline

C9H10INO — CID 167110179

IUPAC2-[(E)-1-iodoprop-1-enoxy]aniline
SMILESC/C=C(/I)Oc1ccccc1N
InChIInChI=1S/C9H10INO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h2-6H,11H2,1H3/b9-2-
InChIKeyPMXVOOOYAYGZCI-MBXJOHMKSA-N
MW275.09 g/mol
LogP2.94
Rot. Bonds2

About 2-[(E)-1-iodoprop-1-enoxy]aniline

2-[(E)-1-iodoprop-1-enoxy]aniline (PubChem CID 167110179) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-[(E)-1-iodoprop-1-enoxy]aniline.

Molecular Properties

Compound Name2-[(E)-1-iodoprop-1-enoxy]aniline
PubChem CID167110179
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name2-[(E)-1-iodoprop-1-enoxy]aniline
SMILESC/C=C(/I)Oc1ccccc1N
InChIInChI=1S/C9H10INO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h2-6H,11H2,1H3/b9-2-
InChIKeyPMXVOOOYAYGZCI-MBXJOHMKSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-iodoprop-1-enoxy]aniline?
The IUPAC name of 2-[(E)-1-iodoprop-1-enoxy]aniline (CID 167110179) is 2-[(E)-1-iodoprop-1-enoxy]aniline.
What is the SMILES notation for 2-[(E)-1-iodoprop-1-enoxy]aniline?
The canonical SMILES for 2-[(E)-1-iodoprop-1-enoxy]aniline is C/C=C(/I)Oc1ccccc1N.
What is the InChIKey of 2-[(E)-1-iodoprop-1-enoxy]aniline?
The InChIKey is PMXVOOOYAYGZCI-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H10INO/c1-2-9(10)12-8-6-4-3-5-7(8)11/h2-6H,11H2,1H3/b9-2-.
What are the key properties of 2-[(E)-1-iodoprop-1-enoxy]aniline?
2-[(E)-1-iodoprop-1-enoxy]aniline has a molecular weight of 275.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-iodoprop-1-enoxy]aniline is sourced from PubChem (CID 167110179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).