3-iodo-2-propylhex-2-enamide

C9H16INO — CID 173239581

IUPAC3-iodo-2-propylhex-2-enamide
SMILESCCCC(I)=C(CCC)C(N)=O
InChIInChI=1S/C9H16INO/c1-3-5-7(9(11)12)8(10)6-4-2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyKEEVVCSMYNRGQF-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.76
Rot. Bonds5

About 3-iodo-2-propylhex-2-enamide

3-iodo-2-propylhex-2-enamide (PubChem CID 173239581) has the molecular formula C9H16INO and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-iodo-2-propylhex-2-enamide.

Molecular Properties

Compound Name3-iodo-2-propylhex-2-enamide
PubChem CID173239581
Molecular FormulaC9H16INO
Molecular Weight281.14 g/mol
Exact Mass281.03
IUPAC Name3-iodo-2-propylhex-2-enamide
SMILESCCCC(I)=C(CCC)C(N)=O
InChIInChI=1S/C9H16INO/c1-3-5-7(9(11)12)8(10)6-4-2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyKEEVVCSMYNRGQF-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-2-propylnon-2-enamide
CID 174472845
butanamide
CID 141414886
(2Z)-2-[dimethylamino(propylamino)methylidene]pentanamide
CID 142670884
butanamide;dihydrobromide
CID 140988378
4,5-dipropyloct-4-ene-3,6-dione
CID 142732258
CID 158833027
CID 158833027
diethyl 2-ethyl-3-propylbut-2-enedioate
CID 123725438
potassium;butanamide;hydride
CID 174374590
2-ethyl-3-methylbut-2-enamide
CID 55290055
azane;2-benzyl-3-propylhex-2-enamide
CID 175253632
dipropyl (Z)-2-ethyl-3-propylbut-2-enedioate
CID 88549132
azane;butanoic acid
CID 175057491

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-propylhex-2-enamide?
The IUPAC name of 3-iodo-2-propylhex-2-enamide (CID 173239581) is 3-iodo-2-propylhex-2-enamide.
What is the SMILES notation for 3-iodo-2-propylhex-2-enamide?
The canonical SMILES for 3-iodo-2-propylhex-2-enamide is CCCC(I)=C(CCC)C(N)=O.
What is the InChIKey of 3-iodo-2-propylhex-2-enamide?
The InChIKey is KEEVVCSMYNRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO/c1-3-5-7(9(11)12)8(10)6-4-2/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of 3-iodo-2-propylhex-2-enamide?
3-iodo-2-propylhex-2-enamide has a molecular weight of 281.14 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-propylhex-2-enamide is sourced from PubChem (CID 173239581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).