1-dodecyl-3-iodopyrrolidin-2-one

C16H30INO — CID 69004366

IUPAC1-dodecyl-3-iodopyrrolidin-2-one
SMILESCCCCCCCCCCCCN1CCC(I)C1=O
InChIInChI=1S/C16H30INO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(17)16(18)19/h15H,2-14H2,1H3
InChIKeyUABLDUMGEDLBSM-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.94
Rot. Bonds11

About 1-dodecyl-3-iodopyrrolidin-2-one

1-dodecyl-3-iodopyrrolidin-2-one (PubChem CID 69004366) has the molecular formula C16H30INO and a molecular weight of 379.33 g/mol. Its IUPAC name is 1-dodecyl-3-iodopyrrolidin-2-one.

Molecular Properties

Compound Name1-dodecyl-3-iodopyrrolidin-2-one
PubChem CID69004366
Molecular FormulaC16H30INO
Molecular Weight379.33 g/mol
Exact Mass379.14
IUPAC Name1-dodecyl-3-iodopyrrolidin-2-one
SMILESCCCCCCCCCCCCN1CCC(I)C1=O
InChIInChI=1S/C16H30INO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(17)16(18)19/h15H,2-14H2,1H3
InChIKeyUABLDUMGEDLBSM-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dodecyl-3-iodopyrrolidin-2-one?
The IUPAC name of 1-dodecyl-3-iodopyrrolidin-2-one (CID 69004366) is 1-dodecyl-3-iodopyrrolidin-2-one.
What is the SMILES notation for 1-dodecyl-3-iodopyrrolidin-2-one?
The canonical SMILES for 1-dodecyl-3-iodopyrrolidin-2-one is CCCCCCCCCCCCN1CCC(I)C1=O.
What is the InChIKey of 1-dodecyl-3-iodopyrrolidin-2-one?
The InChIKey is UABLDUMGEDLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30INO/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(17)16(18)19/h15H,2-14H2,1H3.
What are the key properties of 1-dodecyl-3-iodopyrrolidin-2-one?
1-dodecyl-3-iodopyrrolidin-2-one has a molecular weight of 379.33 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-iodopyrrolidin-2-one is sourced from PubChem (CID 69004366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).