2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide

C12H20N2O2 — CID 129126441

IUPAC2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide
SMILESC=C(CC)[C@@H]1CC(=O)N(C(CC)C(N)=O)C1
InChIInChI=1S/C12H20N2O2/c1-4-8(3)9-6-11(15)14(7-9)10(5-2)12(13)16/h9-10H,3-7H2,1-2H3,(H2,13,16)/t9-,10?/m1/s1
InChIKeySTLJOEGLFBRTIV-YHMJZVADSA-N
MW224.30 g/mol
LogP1.07
Rot. Bonds5

About 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide

2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 129126441) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide
PubChem CID129126441
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide
SMILESC=C(CC)[C@@H]1CC(=O)N(C(CC)C(N)=O)C1
InChIInChI=1S/C12H20N2O2/c1-4-8(3)9-6-11(15)14(7-9)10(5-2)12(13)16/h9-10H,3-7H2,1-2H3,(H2,13,16)/t9-,10?/m1/s1
InChIKeySTLJOEGLFBRTIV-YHMJZVADSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide (CID 129126441) is 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide is C=C(CC)[C@@H]1CC(=O)N(C(CC)C(N)=O)C1.
What is the InChIKey of 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is STLJOEGLFBRTIV-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-8(3)9-6-11(15)14(7-9)10(5-2)12(13)16/h9-10H,3-7H2,1-2H3,(H2,13,16)/t9-,10?/m1/s1.
What are the key properties of 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide?
2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 224.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-but-1-en-2-yl-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 129126441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).