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

N-Cyclopropylnona-2,6-dienamide, (2E,6Z)-
CID 11469606
N-Ethylnona-2,6-dienamide
CID 57351458
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
CID 5321102
(Z)-N-heptan-4-ylhex-2-enamide
CID 57527746
5-(dimethylamino)-N-methylhex-2-enamide
CID 44570054
cyclopropyl (E,Z)-2,6-nonadienamide
CID 57351457
(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
N-(Butan-2-yl)deca-2,4-dienamide
CID 71402968
(2E,4E)-N-[(2R)-butan-2-yl]deca-2,4-dienamide
CID 154497067
(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
CID 44561467
N-isobutyl-2,6-decadienamide
CID 129834243

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).