N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide

C11H12INOSe — CID 11257483

IUPACN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C/[Se]c1ccccc1
InChIInChI=1S/C11H12INOSe/c1-9(14)13-7-10(12)8-15-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8-
InChIKeyMPSSEKKPVSGTAK-NTMALXAHSA-N
MW380.09 g/mol
LogP1.43
Rot. Bonds4

About N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide

N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide (PubChem CID 11257483) has the molecular formula C11H12INOSe and a molecular weight of 380.09 g/mol. Its IUPAC name is N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
PubChem CID11257483
Molecular FormulaC11H12INOSe
Molecular Weight380.09 g/mol
Exact Mass380.91
IUPAC NameN-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide
SMILESCC(=O)NC/C(I)=C/[Se]c1ccccc1
InChIInChI=1S/C11H12INOSe/c1-9(14)13-7-10(12)8-15-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8-
InChIKeyMPSSEKKPVSGTAK-NTMALXAHSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide (CID 11257483) is N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide is CC(=O)NC/C(I)=C/[Se]c1ccccc1.
What is the InChIKey of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide?
The InChIKey is MPSSEKKPVSGTAK-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12INOSe/c1-9(14)13-7-10(12)8-15-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14)/b10-8-.
What are the key properties of N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide?
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide has a molecular weight of 380.09 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]acetamide is sourced from PubChem (CID 11257483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).