3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide

C12H20N2O2 — CID 102603683

IUPAC3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-10(2)9-11(15)13-6-5-12(16)14-7-3-4-8-14/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeySCRTYEYQJKNDGT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.08
Rot. Bonds4

About 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide

3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide (PubChem CID 102603683) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide
PubChem CID102603683
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c1-10(2)9-11(15)13-6-5-12(16)14-7-3-4-8-14/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeySCRTYEYQJKNDGT-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
(E)-4-oxo-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]but-2-enoic acid
CID 54867615
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(E)-3-(1-methylpyrazol-4-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 47110510
(E)-3-(4-tert-butylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 134001701
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide (CID 102603683) is 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide is CC(C)=CC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide?
The InChIKey is SCRTYEYQJKNDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(2)9-11(15)13-6-5-12(16)14-7-3-4-8-14/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide?
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)but-2-enamide is sourced from PubChem (CID 102603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).