1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one

C9H15NO4S — CID 81040144

IUPAC1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C9H15NO4S/c11-7-4-9(12)10(5-7)6-8-2-1-3-15(8,13)14/h7-8,11H,1-6H2
InChIKeyRRJQJTLRWRQSEW-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.84
Rot. Bonds2

About 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one

1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one (PubChem CID 81040144) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one
PubChem CID81040144
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CC1CCCS1(=O)=O
InChIInChI=1S/C9H15NO4S/c11-7-4-9(12)10(5-7)6-8-2-1-3-15(8,13)14/h7-8,11H,1-6H2
InChIKeyRRJQJTLRWRQSEW-UHFFFAOYSA-N
XLogP-0.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one (CID 81040144) is 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1CC1CCCS1(=O)=O.
What is the InChIKey of 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is RRJQJTLRWRQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c11-7-4-9(12)10(5-7)6-8-2-1-3-15(8,13)14/h7-8,11H,1-6H2.
What are the key properties of 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one?
1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 233.29 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 81040144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).