prop-1-ene;pyrrolidine-2,5-dione

C7H11NO2 — CID 90240369

IUPACprop-1-ene;pyrrolidine-2,5-dione
SMILESC=CC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H,1H2,2H3
InChIKeyRWZRQOJCZMSFTK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.62
Rot. Bonds

About prop-1-ene;pyrrolidine-2,5-dione

prop-1-ene;pyrrolidine-2,5-dione (PubChem CID 90240369) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is prop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameprop-1-ene;pyrrolidine-2,5-dione
PubChem CID90240369
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameprop-1-ene;pyrrolidine-2,5-dione
SMILESC=CC.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H6/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H,1H2,2H3
InChIKeyRWZRQOJCZMSFTK-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of prop-1-ene;pyrrolidine-2,5-dione (CID 90240369) is prop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for prop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for prop-1-ene;pyrrolidine-2,5-dione is C=CC.O=C1CCC(=O)N1.
What is the InChIKey of prop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is RWZRQOJCZMSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H6/c6-3-1-2-4(7)5-3;1-3-2/h1-2H2,(H,5,6,7);3H,1H2,2H3.
What are the key properties of prop-1-ene;pyrrolidine-2,5-dione?
prop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 90240369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).