pyrrolidin-2-one

C8H14N2O2 — CID 22988675

IUPACpyrrolidin-2-one
SMILESO=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO/c2*6-4-2-1-3-5-4/h2*1-3H2,(H,5,6)
InChIKeyDHERNFAJQNHYBM-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.21
Rot. Bonds

About pyrrolidin-2-one

pyrrolidin-2-one (PubChem CID 22988675) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is pyrrolidin-2-one.

Molecular Properties

Compound Namepyrrolidin-2-one
PubChem CID22988675
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namepyrrolidin-2-one
SMILESO=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO/c2*6-4-2-1-3-5-4/h2*1-3H2,(H,5,6)
InChIKeyDHERNFAJQNHYBM-UHFFFAOYSA-N
XLogP-0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one?
The IUPAC name of pyrrolidin-2-one (CID 22988675) 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.
What is the InChIKey of pyrrolidin-2-one?
The InChIKey is DHERNFAJQNHYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO/c2*6-4-2-1-3-5-4/h2*1-3H2,(H,5,6).
What are the key properties of pyrrolidin-2-one?
pyrrolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one is sourced from PubChem (CID 22988675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).