1-[(E)-but-2-enoyl]pyrrolidin-2-one

C8H11NO2 — CID 5365844

IUPAC1-[(E)-but-2-enoyl]pyrrolidin-2-one
SMILESC/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h2,4H,3,5-6H2,1H3/b4-2+
InChIKeyZBLRJVRJDXVOLZ-DUXPYHPUSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds1

About 1-[(E)-but-2-enoyl]pyrrolidin-2-one

1-[(E)-but-2-enoyl]pyrrolidin-2-one (PubChem CID 5365844) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]pyrrolidin-2-one
PubChem CID5365844
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[(E)-but-2-enoyl]pyrrolidin-2-one
SMILESC/C=C/C(=O)N1CCCC1=O
InChIInChI=1S/C8H11NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h2,4H,3,5-6H2,1H3/b4-2+
InChIKeyZBLRJVRJDXVOLZ-DUXPYHPUSA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
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 1-[(E)-but-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-but-2-enoyl]pyrrolidin-2-one (CID 5365844) is 1-[(E)-but-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-but-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-but-2-enoyl]pyrrolidin-2-one is C/C=C/C(=O)N1CCCC1=O.
What is the InChIKey of 1-[(E)-but-2-enoyl]pyrrolidin-2-one?
The InChIKey is ZBLRJVRJDXVOLZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-4-7(10)9-6-3-5-8(9)11/h2,4H,3,5-6H2,1H3/b4-2+.
What are the key properties of 1-[(E)-but-2-enoyl]pyrrolidin-2-one?
1-[(E)-but-2-enoyl]pyrrolidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 5365844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).