[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium

C15H18IO+ — CID 14196223

IUPAC[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
SMILESC/C(=C\[I+]c1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C15H18IO/c1-12(15(17)13-7-5-6-8-13)11-16-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3/q+1/b12-11+
InChIKeyPJZLESIAMPASIY-VAWYXSNFSA-N
MW341.21 g/mol
LogP0.61
Rot. Bonds4

About [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium

[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium (PubChem CID 14196223) has the molecular formula C15H18IO+ and a molecular weight of 341.21 g/mol. Its IUPAC name is [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium.

Molecular Properties

Compound Name[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
PubChem CID14196223
Molecular FormulaC15H18IO+
Molecular Weight341.21 g/mol
Exact Mass341.04
IUPAC Name[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
SMILESC/C(=C\[I+]c1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C15H18IO/c1-12(15(17)13-7-5-6-8-13)11-16-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3/q+1/b12-11+
InChIKeyPJZLESIAMPASIY-VAWYXSNFSA-N
XLogP0.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
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

2-benzylidene-1-cyclohexylbutane-1,3-dione
CID 134963614
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626
cyclopentylbenzene;iron
CID 158512704
2-(cyclopentanecarbonyl)-3-phenylprop-2-enoic acid
CID 144576861
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
CID 159076923
CID 159076923
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611

Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium?
The IUPAC name of [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium (CID 14196223) is [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium.
What is the SMILES notation for [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium?
The canonical SMILES for [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium is C/C(=C\[I+]c1ccccc1)C(=O)C1CCCC1.
What is the InChIKey of [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium?
The InChIKey is PJZLESIAMPASIY-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H18IO/c1-12(15(17)13-7-5-6-8-13)11-16-14-9-3-2-4-10-14/h2-4,9-11,13H,5-8H2,1H3/q+1/b12-11+.
What are the key properties of [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium?
[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium has a molecular weight of 341.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium is sourced from PubChem (CID 14196223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).