(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one

C10H15NO — CID 15379691

IUPAC(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one
SMILESC=C[C@@H]1CCCN1C(=O)/C=C/C
InChIInChI=1S/C10H15NO/c1-3-6-10(12)11-8-5-7-9(11)4-2/h3-4,6,9H,2,5,7-8H2,1H3/b6-3+/t9-/m1/s1
InChIKeyFSYZJYRXQAIDOV-BSPAPZMXSA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

About (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one

(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one (PubChem CID 15379691) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one
PubChem CID15379691
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one
SMILESC=C[C@@H]1CCCN1C(=O)/C=C/C
InChIInChI=1S/C10H15NO/c1-3-6-10(12)11-8-5-7-9(11)4-2/h3-4,6,9H,2,5,7-8H2,1H3/b6-3+/t9-/m1/s1
InChIKeyFSYZJYRXQAIDOV-BSPAPZMXSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one (CID 15379691) is (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one is C=C[C@@H]1CCCN1C(=O)/C=C/C.
What is the InChIKey of (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one?
The InChIKey is FSYZJYRXQAIDOV-BSPAPZMXSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-6-10(12)11-8-5-7-9(11)4-2/h3-4,6,9H,2,5,7-8H2,1H3/b6-3+/t9-/m1/s1.
What are the key properties of (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one?
(E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2S)-2-ethenylpyrrolidin-1-yl]but-2-en-1-one is sourced from PubChem (CID 15379691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).