pyrrolidin-2-one

C12H21N3O3 — CID 67822130

IUPACpyrrolidin-2-one
SMILESO=C1CCCN1.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/3C4H7NO/c3*6-4-2-1-3-5-4/h3*1-3H2,(H,5,6)
InChIKeyKXLULQNQGVUUNR-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.31
Rot. Bonds

About pyrrolidin-2-one

pyrrolidin-2-one (PubChem CID 67822130) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is pyrrolidin-2-one.

Molecular Properties

Compound Namepyrrolidin-2-one
PubChem CID67822130
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namepyrrolidin-2-one
SMILESO=C1CCCN1.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/3C4H7NO/c3*6-4-2-1-3-5-4/h3*1-3H2,(H,5,6)
InChIKeyKXLULQNQGVUUNR-UHFFFAOYSA-N
XLogP-0.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one?
The IUPAC name of pyrrolidin-2-one (CID 67822130) is pyrrolidin-2-one.
What is the SMILES notation for pyrrolidin-2-one?
The canonical SMILES for pyrrolidin-2-one is O=C1CCCN1.O=C1CCCN1.O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one?
The InChIKey is KXLULQNQGVUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H7NO/c3*6-4-2-1-3-5-4/h3*1-3H2,(H,5,6).
What are the key properties of pyrrolidin-2-one?
pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one is sourced from PubChem (CID 67822130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).