N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C12H20N2O3 — CID 115700259

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H20N2O3/c1-10(2)9-17-7-5-13-11(15)8-14-6-3-4-12(14)16/h1,3-9H2,2H3,(H,13,15)
InChIKeyGUBAPHDPIURERD-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.32
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 115700259) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID115700259
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC=C(C)COCCNC(=O)CN1CCCC1=O
InChIInChI=1S/C12H20N2O3/c1-10(2)9-17-7-5-13-11(15)8-14-6-3-4-12(14)16/h1,3-9H2,2H3,(H,13,15)
InChIKeyGUBAPHDPIURERD-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103876710
N-[2-(dimethylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 21327798
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propylacetamide
CID 56810104
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63869969
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 115700259) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is C=C(C)COCCNC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GUBAPHDPIURERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10(2)9-17-7-5-13-11(15)8-14-6-3-4-12(14)16/h1,3-9H2,2H3,(H,13,15).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 240.30 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 115700259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).