2-iodo-N,N-bis(prop-2-enyl)acetamide

C8H12INO — CID 10355472

IUPAC2-iodo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CI
InChIInChI=1S/C8H12INO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2
InChIKeyLXKFBOZBFLFMGC-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.62
Rot. Bonds5

About 2-iodo-N,N-bis(prop-2-enyl)acetamide

2-iodo-N,N-bis(prop-2-enyl)acetamide (PubChem CID 10355472) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-iodo-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-iodo-N,N-bis(prop-2-enyl)acetamide
PubChem CID10355472
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name2-iodo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CI
InChIInChI=1S/C8H12INO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2
InChIKeyLXKFBOZBFLFMGC-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-iodo-N,N-bis(prop-2-enyl)acetamide (CID 10355472) is 2-iodo-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-iodo-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-iodo-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CI.
What is the InChIKey of 2-iodo-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is LXKFBOZBFLFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2.
What are the key properties of 2-iodo-N,N-bis(prop-2-enyl)acetamide?
2-iodo-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 265.09 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 10355472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).