3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

C9H13NO3 — CID 23342863

IUPAC3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCC1CCN(C2CCOC2=O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-2-4-10(8(6)11)7-3-5-13-9(7)12/h6-7H,2-5H2,1H3
InChIKeyDSDLVQNFZQVWKD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.17
Rot. Bonds1

About 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (PubChem CID 23342863) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
PubChem CID23342863
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCC1CCN(C2CCOC2=O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-2-4-10(8(6)11)7-3-5-13-9(7)12/h6-7H,2-5H2,1H3
InChIKeyDSDLVQNFZQVWKD-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (CID 23342863) is 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is CC1CCN(C2CCOC2=O)C1=O.
What is the InChIKey of 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The InChIKey is DSDLVQNFZQVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-2-4-10(8(6)11)7-3-5-13-9(7)12/h6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 23342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).