4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one

C8H12INO — CID 10468035

IUPAC4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(CI)CC1=O
InChIInChI=1S/C8H12INO/c1-2-3-10-6-7(5-9)4-8(10)11/h2,7H,1,3-6H2
InChIKeyXKHIYLZVKARDEZ-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.46
Rot. Bonds3

About 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one

4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one (PubChem CID 10468035) has the molecular formula C8H12INO and a molecular weight of 265.09 g/mol. Its IUPAC name is 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one
PubChem CID10468035
Molecular FormulaC8H12INO
Molecular Weight265.09 g/mol
Exact Mass265.00
IUPAC Name4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one
SMILESC=CCN1CC(CI)CC1=O
InChIInChI=1S/C8H12INO/c1-2-3-10-6-7(5-9)4-8(10)11/h2,7H,1,3-6H2
InChIKeyXKHIYLZVKARDEZ-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.46
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one (CID 10468035) is 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one is C=CCN1CC(CI)CC1=O.
What is the InChIKey of 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one?
The InChIKey is XKHIYLZVKARDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INO/c1-2-3-10-6-7(5-9)4-8(10)11/h2,7H,1,3-6H2.
What are the key properties of 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one?
4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one has a molecular weight of 265.09 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-1-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 10468035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).