N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide

C10H14N2O3 — CID 118088116

IUPACN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,7H,5-6H2,1-2H3,(H,11,15)
InChIKeyLUISPCDXSCFGEK-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.32
Rot. Bonds4

About N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide (PubChem CID 118088116) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
PubChem CID118088116
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,7H,5-6H2,1-2H3,(H,11,15)
InChIKeyLUISPCDXSCFGEK-UHFFFAOYSA-N
XLogP-0.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
CID 113083442
CID 123560915
CID 123560915
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-methyl-5-oxopentan-2-yl]sulfinyl-4-methylpentanamide
CID 159317108
2-(2,5-dioxopyrrol-1-yl)ethyl 2-methylpropanoate
CID 176791434
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-[[2-[[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexanoyl]amino]acetyl]amino]propanoic acid
CID 135272526
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
3-(2,5-dioxopyrrol-1-yl)-N-(2-sulfanylpropyl)propanamide
CID 135303547
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide (CID 118088116) is N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is LUISPCDXSCFGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)10(15)11-5-6-12-8(13)3-4-9(12)14/h3-4,7H,5-6H2,1-2H3,(H,11,15).
What are the key properties of N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide?
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 118088116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).