(E)-4-iodopent-2-enamide

C5H8INO — CID 88928240

IUPAC(E)-4-iodopent-2-enamide
SMILESCC(I)/C=C/C(N)=O
InChIInChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H2,7,8)/b3-2+
InChIKeyGWTIEZUUFRYBDK-NSCUHMNNSA-N
MW225.03 g/mol
LogP0.85
Rot. Bonds2

About (E)-4-iodopent-2-enamide

(E)-4-iodopent-2-enamide (PubChem CID 88928240) has the molecular formula C5H8INO and a molecular weight of 225.03 g/mol. Its IUPAC name is (E)-4-iodopent-2-enamide.

Molecular Properties

Compound Name(E)-4-iodopent-2-enamide
PubChem CID88928240
Molecular FormulaC5H8INO
Molecular Weight225.03 g/mol
Exact Mass224.97
IUPAC Name(E)-4-iodopent-2-enamide
SMILESCC(I)/C=C/C(N)=O
InChIInChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H2,7,8)/b3-2+
InChIKeyGWTIEZUUFRYBDK-NSCUHMNNSA-N
XLogP0.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methylhepta-2,5-dienediamide
CID 54037507
4-aminopent-2-enamide
CID 90746791
4-acetylhepta-2,5-dienediamide
CID 57261872
(E)-4-hydroxy-4-(methylamino)but-2-enamide
CID 176557926
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
6-methylhept-2-enamide
CID 130247366
bis(4-amino-4-oxobut-2-enoic acid);propane-1,2-diol
CID 173054168
(E)-4-iodopent-2-enal
CID 122468439
(3-amino-3-oxoprop-1-enyl)-(3-methylbut-2-en-2-yl)azanium
CID 163849135
4-(3-methylphenyl)hepta-2,5-dienediamide
CID 54086053
3-(1-aminocyclopropyl)prop-2-enamide
CID 156858821

Frequently Asked Questions

What is the IUPAC name of (E)-4-iodopent-2-enamide?
The IUPAC name of (E)-4-iodopent-2-enamide (CID 88928240) is (E)-4-iodopent-2-enamide.
What is the SMILES notation for (E)-4-iodopent-2-enamide?
The canonical SMILES for (E)-4-iodopent-2-enamide is CC(I)/C=C/C(N)=O.
What is the InChIKey of (E)-4-iodopent-2-enamide?
The InChIKey is GWTIEZUUFRYBDK-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8INO/c1-4(6)2-3-5(7)8/h2-4H,1H3,(H2,7,8)/b3-2+.
What are the key properties of (E)-4-iodopent-2-enamide?
(E)-4-iodopent-2-enamide has a molecular weight of 225.03 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodopent-2-enamide is sourced from PubChem (CID 88928240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).