3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite

C7H12INO2S — CID 177176596

IUPAC3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
SMILESO=C1CCCN1CCCOSI
InChIInChI=1S/C7H12INO2S/c8-12-11-6-2-5-9-4-1-3-7(9)10/h1-6H2
InChIKeySMQJNRWHUFBCQP-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.01
Rot. Bonds5

About 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite

3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite (PubChem CID 177176596) has the molecular formula C7H12INO2S and a molecular weight of 301.15 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
PubChem CID177176596
Molecular FormulaC7H12INO2S
Molecular Weight301.15 g/mol
Exact Mass300.96
IUPAC Name3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
SMILESO=C1CCCN1CCCOSI
InChIInChI=1S/C7H12INO2S/c8-12-11-6-2-5-9-4-1-3-7(9)10/h1-6H2
InChIKeySMQJNRWHUFBCQP-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
diethyl 3-(2-oxopyrrolidin-1-yl)propyl phosphite
CID 13204167
3-(2-oxopyrrolidin-1-yl)propyl 2,2-dimethylpropanoate
CID 123583092
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite (CID 177176596) is 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite is O=C1CCCN1CCCOSI.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite?
The InChIKey is SMQJNRWHUFBCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO2S/c8-12-11-6-2-5-9-4-1-3-7(9)10/h1-6H2.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite?
3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite has a molecular weight of 301.15 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite is sourced from PubChem (CID 177176596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).