2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline

C10H10IN — CID 89086093

IUPAC2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline
SMILESC=C/C=C\c1cccc(I)c1N
InChIInChI=1S/C10H10IN/c1-2-3-5-8-6-4-7-9(11)10(8)12/h2-7H,1,12H2/b5-3-
InChIKeyYADFWHJLXQKLMO-HYXAFXHYSA-N
MW271.10 g/mol
LogP3.07
Rot. Bonds2

About 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline

2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline (PubChem CID 89086093) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline
PubChem CID89086093
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline
SMILESC=C/C=C\c1cccc(I)c1N
InChIInChI=1S/C10H10IN/c1-2-3-5-8-6-4-7-9(11)10(8)12/h2-7H,1,12H2/b5-3-
InChIKeyYADFWHJLXQKLMO-HYXAFXHYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline (CID 89086093) is 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline is C=C/C=C\c1cccc(I)c1N.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline?
The InChIKey is YADFWHJLXQKLMO-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H10IN/c1-2-3-5-8-6-4-7-9(11)10(8)12/h2-7H,1,12H2/b5-3-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline?
2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline has a molecular weight of 271.10 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-6-iodoaniline is sourced from PubChem (CID 89086093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).