ethenol;pyrrolidin-2-one

C6H11NO2 — CID 66747505

IUPACethenol;pyrrolidin-2-one
SMILESC=CO.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H4O/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2-3H,1H2
InChIKeyNFEFOUJTJSPGCG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.58
Rot. Bonds

About ethenol;pyrrolidin-2-one

ethenol;pyrrolidin-2-one (PubChem CID 66747505) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethenol;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenol;pyrrolidin-2-one
PubChem CID66747505
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethenol;pyrrolidin-2-one
SMILESC=CO.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H4O/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2-3H,1H2
InChIKeyNFEFOUJTJSPGCG-UHFFFAOYSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.58
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 ethenol;pyrrolidin-2-one?
The IUPAC name of ethenol;pyrrolidin-2-one (CID 66747505) is ethenol;pyrrolidin-2-one.
What is the SMILES notation for ethenol;pyrrolidin-2-one?
The canonical SMILES for ethenol;pyrrolidin-2-one is C=CO.O=C1CCCN1.
What is the InChIKey of ethenol;pyrrolidin-2-one?
The InChIKey is NFEFOUJTJSPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H4O/c6-4-2-1-3-5-4;1-2-3/h1-3H2,(H,5,6);2-3H,1H2.
What are the key properties of ethenol;pyrrolidin-2-one?
ethenol;pyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;pyrrolidin-2-one is sourced from PubChem (CID 66747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).