1-[(Z)-2-iodoethenyl]pyrrolidin-2-one

C6H8INO — CID 124586002

IUPAC1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C\I
InChIInChI=1S/C6H8INO/c7-3-5-8-4-1-2-6(8)9/h3,5H,1-2,4H2/b5-3-
InChIKeyRDZHARZRINKLMR-HYXAFXHYSA-N
MW237.04 g/mol
LogP1.51
Rot. Bonds1

About 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one

1-[(Z)-2-iodoethenyl]pyrrolidin-2-one (PubChem CID 124586002) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
PubChem CID124586002
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name1-[(Z)-2-iodoethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1/C=C\I
InChIInChI=1S/C6H8INO/c7-3-5-8-4-1-2-6(8)9/h3,5H,1-2,4H2/b5-3-
InChIKeyRDZHARZRINKLMR-HYXAFXHYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one (CID 124586002) is 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one is O=C1CCCN1/C=C\I.
What is the InChIKey of 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one?
The InChIKey is RDZHARZRINKLMR-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8INO/c7-3-5-8-4-1-2-6(8)9/h3,5H,1-2,4H2/b5-3-.
What are the key properties of 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one?
1-[(Z)-2-iodoethenyl]pyrrolidin-2-one has a molecular weight of 237.04 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-iodoethenyl]pyrrolidin-2-one is sourced from PubChem (CID 124586002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).