1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone

C8H14INO — CID 134471128

IUPAC1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
SMILESCCC1CCN(C(=O)CI)C1
InChIInChI=1S/C8H14INO/c1-2-7-3-4-10(6-7)8(11)5-9/h7H,2-6H2,1H3
InChIKeyMCGGROWCLAZKGP-UHFFFAOYSA-N
MW267.11 g/mol
LogP1.68
Rot. Bonds2

About 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone

1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone (PubChem CID 134471128) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
PubChem CID134471128
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
SMILESCCC1CCN(C(=O)CI)C1
InChIInChI=1S/C8H14INO/c1-2-7-3-4-10(6-7)8(11)5-9/h7H,2-6H2,1H3
InChIKeyMCGGROWCLAZKGP-UHFFFAOYSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 176984404
1-(3-ethylpyrrolidin-1-yl)but-2-yn-1-one
CID 127015121
4-[2-[(3R)-3-ethylpyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470742
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone (CID 134471128) is 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone is CCC1CCN(C(=O)CI)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone?
The InChIKey is MCGGROWCLAZKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO/c1-2-7-3-4-10(6-7)8(11)5-9/h7H,2-6H2,1H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone?
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone has a molecular weight of 267.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone is sourced from PubChem (CID 134471128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).