ethene;pyrrolidin-2-one

C8H15NO — CID 18949514

IUPACethene;pyrrolidin-2-one
SMILESC=C.C=C.O=C1CCCN1
InChIInChI=1S/C4H7NO.2C2H4/c6-4-2-1-3-5-4;2*1-2/h1-3H2,(H,5,6);2*1-2H2
InChIKeyCDLKGBDTHXMQGG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.50
Rot. Bonds

About ethene;pyrrolidin-2-one

ethene;pyrrolidin-2-one (PubChem CID 18949514) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is ethene;pyrrolidin-2-one.

Molecular Properties

Compound Nameethene;pyrrolidin-2-one
PubChem CID18949514
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nameethene;pyrrolidin-2-one
SMILESC=C.C=C.O=C1CCCN1
InChIInChI=1S/C4H7NO.2C2H4/c6-4-2-1-3-5-4;2*1-2/h1-3H2,(H,5,6);2*1-2H2
InChIKeyCDLKGBDTHXMQGG-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;pyrrolidin-2-one?
The IUPAC name of ethene;pyrrolidin-2-one (CID 18949514) 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.C=C.O=C1CCCN1.
What is the InChIKey of ethene;pyrrolidin-2-one?
The InChIKey is CDLKGBDTHXMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.2C2H4/c6-4-2-1-3-5-4;2*1-2/h1-3H2,(H,5,6);2*1-2H2.
What are the key properties of ethene;pyrrolidin-2-one?
ethene;pyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.50, 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 18949514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).