N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide

C11H16N2O3 — CID 59115278

IUPACN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h4-5H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyKLZOBFMOGUKBKI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds6

About N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide

N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 59115278) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID59115278
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h4-5H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyKLZOBFMOGUKBKI-UHFFFAOYSA-N
XLogP0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 57383512
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
Poly(oxy-1,2-ethanediyl), I+/--[3-[[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]amino]propyl]-I-methoxy-
CID 58005097
Mal-Alkyne
CID 10149082
Maleimidoethylacetamide
CID 17867096
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 43553619
N-[3-(dimethylamino)propyl]acrylamide acrylamide
CID 86757471
4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
CID 20659749
1-(3-aminopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22377079
N'-butylbut-2-enediamide
CID 54509665

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 59115278) is N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide is CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is KLZOBFMOGUKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-7-12-9(14)6-8-13-10(15)4-5-11(13)16/h4-5H,2-3,6-8H2,1H3,(H,12,14).
What are the key properties of N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 59115278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).