1,5-di(but-3-enoyl)pyrrolidin-2-one

C12H15NO3 — CID 70359984

IUPAC1,5-di(but-3-enoyl)pyrrolidin-2-one
SMILESC=CCC(=O)C1CCC(=O)N1C(=O)CC=C
InChIInChI=1S/C12H15NO3/c1-3-5-10(14)9-7-8-12(16)13(9)11(15)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyKOLKCVNNYGLXKK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds5

About 1,5-di(but-3-enoyl)pyrrolidin-2-one

1,5-di(but-3-enoyl)pyrrolidin-2-one (PubChem CID 70359984) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1,5-di(but-3-enoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1,5-di(but-3-enoyl)pyrrolidin-2-one
PubChem CID70359984
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1,5-di(but-3-enoyl)pyrrolidin-2-one
SMILESC=CCC(=O)C1CCC(=O)N1C(=O)CC=C
InChIInChI=1S/C12H15NO3/c1-3-5-10(14)9-7-8-12(16)13(9)11(15)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyKOLKCVNNYGLXKK-UHFFFAOYSA-N
XLogP1.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,5-di(but-3-enoyl)pyrrolidin-2-one?
The IUPAC name of 1,5-di(but-3-enoyl)pyrrolidin-2-one (CID 70359984) is 1,5-di(but-3-enoyl)pyrrolidin-2-one.
What is the SMILES notation for 1,5-di(but-3-enoyl)pyrrolidin-2-one?
The canonical SMILES for 1,5-di(but-3-enoyl)pyrrolidin-2-one is C=CCC(=O)C1CCC(=O)N1C(=O)CC=C.
What is the InChIKey of 1,5-di(but-3-enoyl)pyrrolidin-2-one?
The InChIKey is KOLKCVNNYGLXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-5-10(14)9-7-8-12(16)13(9)11(15)6-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 1,5-di(but-3-enoyl)pyrrolidin-2-one?
1,5-di(but-3-enoyl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(but-3-enoyl)pyrrolidin-2-one is sourced from PubChem (CID 70359984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).