ethene;1-ethylpyrrolidin-2-one

C8H15NO — CID 143002656

IUPACethene;1-ethylpyrrolidin-2-one
SMILESC=C.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C2H4/c1-2-7-5-3-4-6(7)8;1-2/h2-5H2,1H3;1-2H2
InChIKeyUSXRMRALLKCINY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds1

About ethene;1-ethylpyrrolidin-2-one

ethene;1-ethylpyrrolidin-2-one (PubChem CID 143002656) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethene;1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Nameethene;1-ethylpyrrolidin-2-one
PubChem CID143002656
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethene;1-ethylpyrrolidin-2-one
SMILESC=C.CCN1CCCC1=O
InChIInChI=1S/C6H11NO.C2H4/c1-2-7-5-3-4-6(7)8;1-2/h2-5H2,1H3;1-2H2
InChIKeyUSXRMRALLKCINY-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;1-ethylpyrrolidin-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;1-ethylpyrrolidin-2-one?
The IUPAC name of ethene;1-ethylpyrrolidin-2-one (CID 143002656) is ethene;1-ethylpyrrolidin-2-one.
What is the SMILES notation for ethene;1-ethylpyrrolidin-2-one?
The canonical SMILES for ethene;1-ethylpyrrolidin-2-one is C=C.CCN1CCCC1=O.
What is the InChIKey of ethene;1-ethylpyrrolidin-2-one?
The InChIKey is USXRMRALLKCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H4/c1-2-7-5-3-4-6(7)8;1-2/h2-5H2,1H3;1-2H2.
What are the key properties of ethene;1-ethylpyrrolidin-2-one?
ethene;1-ethylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethylpyrrolidin-2-one is sourced from PubChem (CID 143002656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).