ethene;pyrrolidin-2-one

C6H11NO — CID 22486773

IUPACethene;pyrrolidin-2-one
SMILESC=C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H4/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);1-2H2
InChIKeyQWMVKSPSWWCSEK-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds

About ethene;pyrrolidin-2-one

ethene;pyrrolidin-2-one (PubChem CID 22486773) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is ethene;pyrrolidin-2-one.

Molecular Properties

Compound Nameethene;pyrrolidin-2-one
PubChem CID22486773
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameethene;pyrrolidin-2-one
SMILESC=C.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2H4/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);1-2H2
InChIKeyQWMVKSPSWWCSEK-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethene;pyrrolidin-2-one?
The IUPAC name of ethene;pyrrolidin-2-one (CID 22486773) is ethene;pyrrolidin-2-one.
What is the SMILES notation for ethene;pyrrolidin-2-one?
The canonical SMILES for ethene;pyrrolidin-2-one is C=C.O=C1CCCN1.
What is the InChIKey of ethene;pyrrolidin-2-one?
The InChIKey is QWMVKSPSWWCSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H4/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);1-2H2.
What are the key properties of ethene;pyrrolidin-2-one?
ethene;pyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pyrrolidin-2-one is sourced from PubChem (CID 22486773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).