4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide

C11H17N3O3 — CID 91281445

IUPAC4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
SMILESCCCNNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c1-2-7-12-13-9(15)4-3-8-14-10(16)5-6-11(14)17/h5-6,12H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyUFNNQQUHFAHAMP-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.28
Rot. Bonds7

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

4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide (PubChem CID 91281445) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
PubChem CID91281445
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
SMILESCCCNNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c1-2-7-12-13-9(15)4-3-8-14-10(16)5-6-11(14)17/h5-6,12H,2-4,7-8H2,1H3,(H,13,15)
InChIKeyUFNNQQUHFAHAMP-UHFFFAOYSA-N
XLogP-0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

E-Maleimidocaproic acid hydrazine hydrochloride
CID 44119987
6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide
CID 4170354
3-Maleimidopropionic acid hydrazide
CID 4401583
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
4-(2,5-dioxopyrrol-1-yl)-N-[3-(methylamino)propyl]butanamide
CID 57655101
4-(2,5-dioxopyrrol-1-yl)-N-propylbutanamide
CID 58493147
N-butyl-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 58984233
N-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-methylboronamidic acid
CID 59440059
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
4-(2,5-dioxopyrrol-1-yl)-N-ethylbutanamide
CID 59740413
4-(2,5-dioxopyrrol-1-yl)-N-methylbutanamide
CID 60060343
1-(3-Hydrazinylpropyl)pyrrole-2,5-dione
CID 66992825

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide (CID 91281445) is 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide is CCCNNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide?
The InChIKey is UFNNQQUHFAHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-7-12-13-9(15)4-3-8-14-10(16)5-6-11(14)17/h5-6,12H,2-4,7-8H2,1H3,(H,13,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide?
4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide has a molecular weight of 239.27 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide is sourced from PubChem (CID 91281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).