3-methoxypyrrolidin-2-one

C5H9NO2 — CID 19894871

IUPAC3-methoxypyrrolidin-2-one
SMILESCOC1CCNC1=O
InChIInChI=1S/C5H9NO2/c1-8-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)
InChIKeyQVMJZLDWJVJGFK-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About 3-methoxypyrrolidin-2-one

3-methoxypyrrolidin-2-one (PubChem CID 19894871) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 3-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-methoxypyrrolidin-2-one
PubChem CID19894871
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name3-methoxypyrrolidin-2-one
SMILESCOC1CCNC1=O
InChIInChI=1S/C5H9NO2/c1-8-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)
InChIKeyQVMJZLDWJVJGFK-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrrolidin-2-one?
The IUPAC name of 3-methoxypyrrolidin-2-one (CID 19894871) is 3-methoxypyrrolidin-2-one.
What is the SMILES notation for 3-methoxypyrrolidin-2-one?
The canonical SMILES for 3-methoxypyrrolidin-2-one is COC1CCNC1=O.
What is the InChIKey of 3-methoxypyrrolidin-2-one?
The InChIKey is QVMJZLDWJVJGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-8-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of 3-methoxypyrrolidin-2-one?
3-methoxypyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrrolidin-2-one is sourced from PubChem (CID 19894871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).