pyrrolidin-2-one;hydrate

C4H9NO2 — CID 19382566

IUPACpyrrolidin-2-one;hydrate
SMILESO.O=C1CCCN1
InChIInChI=1S/C4H7NO.H2O/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H2
InChIKeySKJFEFZSVADBPG-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.93
Rot. Bonds

About pyrrolidin-2-one;hydrate

pyrrolidin-2-one;hydrate (PubChem CID 19382566) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is pyrrolidin-2-one;hydrate.

Molecular Properties

Compound Namepyrrolidin-2-one;hydrate
PubChem CID19382566
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepyrrolidin-2-one;hydrate
SMILESO.O=C1CCCN1
InChIInChI=1S/C4H7NO.H2O/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H2
InChIKeySKJFEFZSVADBPG-UHFFFAOYSA-N
XLogP-0.93
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one;hydrate?
The IUPAC name of pyrrolidin-2-one;hydrate (CID 19382566) is pyrrolidin-2-one;hydrate.
What is the SMILES notation for pyrrolidin-2-one;hydrate?
The canonical SMILES for pyrrolidin-2-one;hydrate is O.O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one;hydrate?
The InChIKey is SKJFEFZSVADBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.H2O/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H2.
What are the key properties of pyrrolidin-2-one;hydrate?
pyrrolidin-2-one;hydrate has a molecular weight of 103.12 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one;hydrate is sourced from PubChem (CID 19382566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).