4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

C8H12N2O4 — CID 168661774

IUPAC4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1N1CC(CO)CC1=O
InChIInChI=1S/C8H12N2O4/c11-3-5-1-7(12)10(2-5)6-4-14-9-8(6)13/h5-6,11H,1-4H2,(H,9,13)
InChIKeyOTUUZSTXPLEOLZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.74
Rot. Bonds2

About 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one

4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (PubChem CID 168661774) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
PubChem CID168661774
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one
SMILESO=C1NOCC1N1CC(CO)CC1=O
InChIInChI=1S/C8H12N2O4/c11-3-5-1-7(12)10(2-5)6-4-14-9-8(6)13/h5-6,11H,1-4H2,(H,9,13)
InChIKeyOTUUZSTXPLEOLZ-UHFFFAOYSA-N
XLogP-1.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one (CID 168661774) is 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is O=C1NOCC1N1CC(CO)CC1=O.
What is the InChIKey of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
The InChIKey is OTUUZSTXPLEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-5-1-7(12)10(2-5)6-4-14-9-8(6)13/h5-6,11H,1-4H2,(H,9,13).
What are the key properties of 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one?
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one has a molecular weight of 200.19 g/mol, XLogP of -1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 168661774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).