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

C9H14N2O3 — CID 143010722

IUPAC3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC(CN2CCOC2=O)C1=O
InChIInChI=1S/C9H14N2O3/c1-10-3-2-7(8(10)12)6-11-4-5-14-9(11)13/h7H,2-6H2,1H3
InChIKeyXONDFTMJSBKLBW-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.08
Rot. Bonds2

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

3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 143010722) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID143010722
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCC(CN2CCOC2=O)C1=O
InChIInChI=1S/C9H14N2O3/c1-10-3-2-7(8(10)12)6-11-4-5-14-9(11)13/h7H,2-6H2,1H3
InChIKeyXONDFTMJSBKLBW-UHFFFAOYSA-N
XLogP-0.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one (CID 143010722) is 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one is CN1CCC(CN2CCOC2=O)C1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is XONDFTMJSBKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-3-2-7(8(10)12)6-11-4-5-14-9(11)13/h7H,2-6H2,1H3.
What are the key properties of 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one?
3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143010722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).