N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide

C12H19N3O3 — CID 168747550

IUPACN'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide
SMILESCC(C)(C)NNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)14-13-9(16)5-4-8-15-10(17)6-7-11(15)18/h6-7,14H,4-5,8H2,1-3H3,(H,13,16)
InChIKeyIRANHKRYBXRJOU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.11
Rot. Bonds5

About N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide

N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide (PubChem CID 168747550) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide
PubChem CID168747550
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide
SMILESCC(C)(C)NNC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)14-13-9(16)5-4-8-15-10(17)6-7-11(15)18/h6-7,14H,4-5,8H2,1-3H3,(H,13,16)
InChIKeyIRANHKRYBXRJOU-UHFFFAOYSA-N
XLogP0.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
N-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-methylboronamidic acid
CID 59440059
4-(2,5-Dioxopyrrol-1-yl)hexanehydrazide
CID 68491833
6-(2,5-dioxopyrrol-1-yl)-N'-methylhexanehydrazide
CID 70790417
CID 70863650
CID 70863650
Tert-butyl-[[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamic acid
CID 70980112
4-(2,5-Dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide
CID 70980511
tert-Butyl 2-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoyl)hydrazinecarboxylate
CID 86644087
1-(4-Hydrazinylbutanoyl)pyrrole-2,5-dione
CID 89609532
N'-acetyl-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
CID 90364706
4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
CID 91281445
4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethyl-N'-propylpentanehydrazide
CID 145076354

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The IUPAC name of N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide (CID 168747550) is N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide.
What is the SMILES notation for N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The canonical SMILES for N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide is CC(C)(C)NNC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
The InChIKey is IRANHKRYBXRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)14-13-9(16)5-4-8-15-10(17)6-7-11(15)18/h6-7,14H,4-5,8H2,1-3H3,(H,13,16).
What are the key properties of N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide?
N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide has a molecular weight of 253.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide is sourced from PubChem (CID 168747550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).