ethene;bis(pyrrolidin-2-one)

C12H22N2O2 — CID 67822125

IUPACethene;bis(pyrrolidin-2-one)
SMILESC=C.C=C.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.2C2H4/c2*6-4-2-1-3-5-4;2*1-2/h2*1-3H2,(H,5,6);2*1-2H2
InChIKeyRVCOQZPYQUJSEI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.40
Rot. Bonds

About ethene;bis(pyrrolidin-2-one)

ethene;bis(pyrrolidin-2-one) (PubChem CID 67822125) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethene;bis(pyrrolidin-2-one).

Molecular Properties

Compound Nameethene;bis(pyrrolidin-2-one)
PubChem CID67822125
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethene;bis(pyrrolidin-2-one)
SMILESC=C.C=C.O=C1CCCN1.O=C1CCCN1
InChIInChI=1S/2C4H7NO.2C2H4/c2*6-4-2-1-3-5-4;2*1-2/h2*1-3H2,(H,5,6);2*1-2H2
InChIKeyRVCOQZPYQUJSEI-UHFFFAOYSA-N
XLogP1.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;bis(pyrrolidin-2-one)?
The IUPAC name of ethene;bis(pyrrolidin-2-one) (CID 67822125) is ethene;bis(pyrrolidin-2-one).
What is the SMILES notation for ethene;bis(pyrrolidin-2-one)?
The canonical SMILES for ethene;bis(pyrrolidin-2-one) is C=C.C=C.O=C1CCCN1.O=C1CCCN1.
What is the InChIKey of ethene;bis(pyrrolidin-2-one)?
The InChIKey is RVCOQZPYQUJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7NO.2C2H4/c2*6-4-2-1-3-5-4;2*1-2/h2*1-3H2,(H,5,6);2*1-2H2.
What are the key properties of ethene;bis(pyrrolidin-2-one)?
ethene;bis(pyrrolidin-2-one) has a molecular weight of 226.32 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(pyrrolidin-2-one) is sourced from PubChem (CID 67822125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).