4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide

C11H16N2O3 — CID 58493147

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h5-6H,2-4,7-8H2,1H3,(H,12,14)
InChIKeyMJTRXCIGOXDTNV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds6

About 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide

4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide (PubChem CID 58493147) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide
PubChem CID58493147
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h5-6H,2-4,7-8H2,1H3,(H,12,14)
InChIKeyMJTRXCIGOXDTNV-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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
Maleimidoethylacetamide
CID 17867096
Maleimide-(CH2)5-CONH-CH2CH2NH2
CID 85794122
4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
CID 20659749
N'-butylbut-2-enediamide
CID 54509665
(E)-N,N'-dibutylbut-2-enediamide
CID 5775050
(E)-N,N'-dipropylbut-2-enediamide
CID 6083413
N,N'-dipropylbut-2-enediamide
CID 315712
N,N'-dibutylbut-2-enediamide
CID 315713
6-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexanamide
CID 4568604
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide (CID 58493147) is 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide is CCCNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide?
The InChIKey is MJTRXCIGOXDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h5-6H,2-4,7-8H2,1H3,(H,12,14).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide?
4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide 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 4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide is sourced from PubChem (CID 58493147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).