N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen

C10H20N2O3 — CID 144970843

IUPACN-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NC(=O)CN1CCCC1=O.[H][H]
InChIInChI=1S/C8H12N2O3.C2H6.H2/c1-6(11)9-7(12)5-10-4-2-3-8(10)13;1-2;/h2-5H2,1H3,(H,9,11,12);1-2H3;1H
InChIKeyYHDIWZPDEFZFEG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.54
Rot. Bonds2

About N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen

N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen (PubChem CID 144970843) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
PubChem CID144970843
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NC(=O)CN1CCCC1=O.[H][H]
InChIInChI=1S/C8H12N2O3.C2H6.H2/c1-6(11)9-7(12)5-10-4-2-3-8(10)13;1-2;/h2-5H2,1H3,(H,9,11,12);1-2H3;1H
InChIKeyYHDIWZPDEFZFEG-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(2-hydroxyethyl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 60686109
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115700259
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 60689171
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105354154
2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105353266
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115968684
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen?
The IUPAC name of N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen (CID 144970843) is N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen?
The canonical SMILES for N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen is CC.CC(=O)NC(=O)CN1CCCC1=O.[H][H].
What is the InChIKey of N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen?
The InChIKey is YHDIWZPDEFZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.C2H6.H2/c1-6(11)9-7(12)5-10-4-2-3-8(10)13;1-2;/h2-5H2,1H3,(H,9,11,12);1-2H3;1H.
What are the key properties of N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen?
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen has a molecular weight of 216.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 144970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).