2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide

C24H40N6O6 — CID 161254420

About 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide

2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide (PubChem CID 161254420) has the molecular formula C24H40N6O6 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide.

Molecular Properties

• Compound Name: 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
• PubChem CID: 161254420
• Molecular Formula: C24H40N6O6
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.30
• IUPAC Name: 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
• SMILES: CC=C(C(N)=O)N1CCCC1=O.CCC(C(N)=O)N1CCCC1=O.CC[C@@H](C(N)=O)N1CCCC1=O
• InChI: InChI=1S/2C8H14N2O2.C8H12N2O2/c3*1-2-6(8(9)12)10-5-3-4-7(10)11/h2*6H,2-5H2,1H3,(H2,9,12);2H,3-5H2,1H3,(H2,9,12)/t6-;;/m0../s1
• InChIKey: VBSBRQQHTIARMN-ILKKLZGPSA-N
• XLogP: -0.26
• TPSA: 190.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide?

The IUPAC name of 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide (CID 161254420) is 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide.

What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide?

The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide is CC=C(C(N)=O)N1CCCC1=O.CCC(C(N)=O)N1CCCC1=O.CC[C@@H](C(N)=O)N1CCCC1=O.

What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide?

The InChIKey is VBSBRQQHTIARMN-ILKKLZGPSA-N. The full InChI is InChI=1S/2C8H14N2O2.C8H12N2O2/c3*1-2-6(8(9)12)10-5-3-4-7(10)11/h2*6H,2-5H2,1H3,(H2,9,12);2H,3-5H2,1H3,(H2,9,12)/t6-;;/m0../s1.

What are the key properties of 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide?

2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide has a molecular weight of 508.62 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide is sourced from PubChem (CID 161254420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).