5-(hydroxymethylidene)pyrrolidin-2-one

C5H7NO2 — CID 154112333

IUPAC5-(hydroxymethylidene)pyrrolidin-2-one
SMILESO=C1CCC(=CO)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3,7H,1-2H2,(H,6,8)
InChIKeyDGXMHWZPYNYRED-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.30
Rot. Bonds

About 5-(hydroxymethylidene)pyrrolidin-2-one

5-(hydroxymethylidene)pyrrolidin-2-one (PubChem CID 154112333) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(hydroxymethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethylidene)pyrrolidin-2-one
PubChem CID154112333
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name5-(hydroxymethylidene)pyrrolidin-2-one
SMILESO=C1CCC(=CO)N1
InChIInChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3,7H,1-2H2,(H,6,8)
InChIKeyDGXMHWZPYNYRED-UHFFFAOYSA-N
XLogP0.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethylidene)pyrrolidin-2-one?
The IUPAC name of 5-(hydroxymethylidene)pyrrolidin-2-one (CID 154112333) is 5-(hydroxymethylidene)pyrrolidin-2-one.
What is the SMILES notation for 5-(hydroxymethylidene)pyrrolidin-2-one?
The canonical SMILES for 5-(hydroxymethylidene)pyrrolidin-2-one is O=C1CCC(=CO)N1.
What is the InChIKey of 5-(hydroxymethylidene)pyrrolidin-2-one?
The InChIKey is DGXMHWZPYNYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3,7H,1-2H2,(H,6,8).
What are the key properties of 5-(hydroxymethylidene)pyrrolidin-2-one?
5-(hydroxymethylidene)pyrrolidin-2-one has a molecular weight of 113.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethylidene)pyrrolidin-2-one is sourced from PubChem (CID 154112333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).