prop-2-enamide;pyrrolidin-2-one

C7H12N2O2 — CID 23358591

IUPACprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(N)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H,1H2,(H2,4,5)
InChIKeyJEPOUZHYAAWRIP-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.45
Rot. Bonds1

About prop-2-enamide;pyrrolidin-2-one

prop-2-enamide;pyrrolidin-2-one (PubChem CID 23358591) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is prop-2-enamide;pyrrolidin-2-one.

Molecular Properties

Compound Nameprop-2-enamide;pyrrolidin-2-one
PubChem CID23358591
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Nameprop-2-enamide;pyrrolidin-2-one
SMILESC=CC(N)=O.O=C1CCCN1
InChIInChI=1S/C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H,1H2,(H2,4,5)
InChIKeyJEPOUZHYAAWRIP-UHFFFAOYSA-N
XLogP-0.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;pyrrolidin-2-one?
The IUPAC name of prop-2-enamide;pyrrolidin-2-one (CID 23358591) is prop-2-enamide;pyrrolidin-2-one.
What is the SMILES notation for prop-2-enamide;pyrrolidin-2-one?
The canonical SMILES for prop-2-enamide;pyrrolidin-2-one is C=CC(N)=O.O=C1CCCN1.
What is the InChIKey of prop-2-enamide;pyrrolidin-2-one?
The InChIKey is JEPOUZHYAAWRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H5NO/c6-4-2-1-3-5-4;1-2-3(4)5/h1-3H2,(H,5,6);2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;pyrrolidin-2-one?
prop-2-enamide;pyrrolidin-2-one has a molecular weight of 156.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;pyrrolidin-2-one is sourced from PubChem (CID 23358591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).