2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide

C10H17N3O2 — CID 57244107

IUPAC2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide
SMILESCN(C)C(=CC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-13(2)8(10(11)15)6-9(14)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H2,11,15)/t7-/m0/s1
InChIKeyQOZXSLXDLXBTID-ZETCQYMHSA-N
MW211.26 g/mol
LogP-0.76
Rot. Bonds4

About 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide

2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide (PubChem CID 57244107) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide
PubChem CID57244107
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide
SMILESCN(C)C(=CC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-13(2)8(10(11)15)6-9(14)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H2,11,15)/t7-/m0/s1
InChIKeyQOZXSLXDLXBTID-ZETCQYMHSA-N
XLogP-0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide?
The IUPAC name of 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide (CID 57244107) is 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide?
The canonical SMILES for 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide is CN(C)C(=CC(=O)[C@@H]1CCCN1)C(N)=O.
What is the InChIKey of 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide?
The InChIKey is QOZXSLXDLXBTID-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13(2)8(10(11)15)6-9(14)7-4-3-5-12-7/h6-7,12H,3-5H2,1-2H3,(H2,11,15)/t7-/m0/s1.
What are the key properties of 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide?
2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-oxo-4-[(2S)-pyrrolidin-2-yl]but-2-enamide is sourced from PubChem (CID 57244107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).