pyrrolidin-2-one

C4H7NO — CID 12025

IUPACpyrrolidin-2-one
SMILESO=C1CCCN1
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKeyHNJBEVLQSNELDL-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.10
Rot. Bonds

About pyrrolidin-2-one

pyrrolidin-2-one (PubChem CID 12025) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is pyrrolidin-2-one.

Molecular Properties

Compound Namepyrrolidin-2-one
PubChem CID12025
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Namepyrrolidin-2-one
SMILESO=C1CCCN1
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKeyHNJBEVLQSNELDL-UHFFFAOYSA-N
XLogP-0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one?
The IUPAC name of pyrrolidin-2-one (CID 12025) is pyrrolidin-2-one.
What is the SMILES notation for pyrrolidin-2-one?
The canonical SMILES for pyrrolidin-2-one is O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one?
The InChIKey is HNJBEVLQSNELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6).
What are the key properties of pyrrolidin-2-one?
pyrrolidin-2-one has a molecular weight of 85.11 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one is sourced from PubChem (CID 12025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).