N-but-3-enyl-2-iodoacetamide

C6H10INO — CID 86212568

IUPACN-but-3-enyl-2-iodoacetamide
SMILESC=CCCNC(=O)CI
InChIInChI=1S/C6H10INO/c1-2-3-4-8-6(9)5-7/h2H,1,3-5H2,(H,8,9)
InChIKeyDVQSJLZTUZADNI-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.11
Rot. Bonds4

About N-but-3-enyl-2-iodoacetamide

N-but-3-enyl-2-iodoacetamide (PubChem CID 86212568) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is N-but-3-enyl-2-iodoacetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-iodoacetamide
PubChem CID86212568
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC NameN-but-3-enyl-2-iodoacetamide
SMILESC=CCCNC(=O)CI
InChIInChI=1S/C6H10INO/c1-2-3-4-8-6(9)5-7/h2H,1,3-5H2,(H,8,9)
InChIKeyDVQSJLZTUZADNI-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-but-3-enyl-2-iodoacetamide?
The IUPAC name of N-but-3-enyl-2-iodoacetamide (CID 86212568) is N-but-3-enyl-2-iodoacetamide.
What is the SMILES notation for N-but-3-enyl-2-iodoacetamide?
The canonical SMILES for N-but-3-enyl-2-iodoacetamide is C=CCCNC(=O)CI.
What is the InChIKey of N-but-3-enyl-2-iodoacetamide?
The InChIKey is DVQSJLZTUZADNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-2-3-4-8-6(9)5-7/h2H,1,3-5H2,(H,8,9).
What are the key properties of N-but-3-enyl-2-iodoacetamide?
N-but-3-enyl-2-iodoacetamide has a molecular weight of 239.06 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-iodoacetamide is sourced from PubChem (CID 86212568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).