(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide

C11H18N2O2 — CID 115596720

IUPAC(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O2/c1-3-6-10(14)12-9(2)11(15)13-7-4-5-8-13/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,14)/b6-3+
InChIKeyUEVCEUCVOPEFRK-ZZXKWVIFSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds3

About (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide

(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide (PubChem CID 115596720) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
PubChem CID115596720
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O2/c1-3-6-10(14)12-9(2)11(15)13-7-4-5-8-13/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,14)/b6-3+
InChIKeyUEVCEUCVOPEFRK-ZZXKWVIFSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
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

2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 114329095
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556
2-(3-methylbut-2-enylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 103520472
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide?
The IUPAC name of (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide (CID 115596720) is (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide is C/C=C/C(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide?
The InChIKey is UEVCEUCVOPEFRK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-6-10(14)12-9(2)11(15)13-7-4-5-8-13/h3,6,9H,4-5,7-8H2,1-2H3,(H,12,14)/b6-3+.
What are the key properties of (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide?
(E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)but-2-enamide is sourced from PubChem (CID 115596720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).