6-iodo-N-propan-2-ylhex-2-enamide

C9H16INO — CID 139665458

IUPAC6-iodo-N-propan-2-ylhex-2-enamide
SMILESCC(C)NC(=O)C=CCCCI
InChIInChI=1S/C9H16INO/c1-8(2)11-9(12)6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyFMPFFQAGMBOVBC-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.28
Rot. Bonds5

About 6-iodo-N-propan-2-ylhex-2-enamide

6-iodo-N-propan-2-ylhex-2-enamide (PubChem CID 139665458) has the molecular formula C9H16INO and a molecular weight of 281.14 g/mol. Its IUPAC name is 6-iodo-N-propan-2-ylhex-2-enamide.

Molecular Properties

Compound Name6-iodo-N-propan-2-ylhex-2-enamide
PubChem CID139665458
Molecular FormulaC9H16INO
Molecular Weight281.14 g/mol
Exact Mass281.03
IUPAC Name6-iodo-N-propan-2-ylhex-2-enamide
SMILESCC(C)NC(=O)C=CCCCI
InChIInChI=1S/C9H16INO/c1-8(2)11-9(12)6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyFMPFFQAGMBOVBC-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 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 ≤ 52.28
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
(E)-N-[1-[2-[[(E)-oct-2-enoyl]amino]propylamino]propan-2-yl]oct-2-enamide
CID 102116504
propane;(E)-N-propan-2-ylbut-2-enamide
CID 177014610
(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
CID 126550702
N-hexan-2-yl-18-hydroxyoctadec-2-enamide
CID 123745631
(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
sodium (2S)-2-(heptadec-2-enoylamino)-3-methylbutanoate
CID 141400663
(E)-4-(3,5-dioxopiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 129276169
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide
CID 130435622
2-[[(E)-hept-2-enoyl]amino]pentanedioic acid
CID 90258545

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-propan-2-ylhex-2-enamide?
The IUPAC name of 6-iodo-N-propan-2-ylhex-2-enamide (CID 139665458) is 6-iodo-N-propan-2-ylhex-2-enamide.
What is the SMILES notation for 6-iodo-N-propan-2-ylhex-2-enamide?
The canonical SMILES for 6-iodo-N-propan-2-ylhex-2-enamide is CC(C)NC(=O)C=CCCCI.
What is the InChIKey of 6-iodo-N-propan-2-ylhex-2-enamide?
The InChIKey is FMPFFQAGMBOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO/c1-8(2)11-9(12)6-4-3-5-7-10/h4,6,8H,3,5,7H2,1-2H3,(H,11,12).
What are the key properties of 6-iodo-N-propan-2-ylhex-2-enamide?
6-iodo-N-propan-2-ylhex-2-enamide has a molecular weight of 281.14 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-propan-2-ylhex-2-enamide is sourced from PubChem (CID 139665458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).