1-(3-aminopropyl)-3-iodopyrrolidin-2-one

C7H13IN2O — CID 69498568

IUPAC1-(3-aminopropyl)-3-iodopyrrolidin-2-one
SMILESNCCCN1CCC(I)C1=O
InChIInChI=1S/C7H13IN2O/c8-6-2-5-10(7(6)11)4-1-3-9/h6H,1-5,9H2
InChIKeyJYLLENHVFPJCRB-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.37
Rot. Bonds3

About 1-(3-aminopropyl)-3-iodopyrrolidin-2-one

1-(3-aminopropyl)-3-iodopyrrolidin-2-one (PubChem CID 69498568) has the molecular formula C7H13IN2O and a molecular weight of 268.10 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-iodopyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-iodopyrrolidin-2-one
PubChem CID69498568
Molecular FormulaC7H13IN2O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Name1-(3-aminopropyl)-3-iodopyrrolidin-2-one
SMILESNCCCN1CCC(I)C1=O
InChIInChI=1S/C7H13IN2O/c8-6-2-5-10(7(6)11)4-1-3-9/h6H,1-5,9H2
InChIKeyJYLLENHVFPJCRB-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-iodopyrrolidin-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-iodopyrrolidin-2-one (CID 69498568) is 1-(3-aminopropyl)-3-iodopyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-iodopyrrolidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-iodopyrrolidin-2-one is NCCCN1CCC(I)C1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-iodopyrrolidin-2-one?
The InChIKey is JYLLENHVFPJCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IN2O/c8-6-2-5-10(7(6)11)4-1-3-9/h6H,1-5,9H2.
What are the key properties of 1-(3-aminopropyl)-3-iodopyrrolidin-2-one?
1-(3-aminopropyl)-3-iodopyrrolidin-2-one has a molecular weight of 268.10 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-iodopyrrolidin-2-one is sourced from PubChem (CID 69498568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).