4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane

C11H19N3O3 — CID 159103514

IUPAC4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane
SMILESC.CC(C)(CCN1C(=O)C=CC1=O)C(=O)NN
InChIInChI=1S/C10H15N3O3.CH4/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15;/h3-4H,5-6,11H2,1-2H3,(H,12,16);1H4
InChIKeyKDOWXJIJJNLYDW-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.05
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane

4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane (PubChem CID 159103514) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane
PubChem CID159103514
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane
SMILESC.CC(C)(CCN1C(=O)C=CC1=O)C(=O)NN
InChIInChI=1S/C10H15N3O3.CH4/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15;/h3-4H,5-6,11H2,1-2H3,(H,12,16);1H4
InChIKeyKDOWXJIJJNLYDW-UHFFFAOYSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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)-2,2-dimethylbutanehydrazide trifluoroacetate
CID 70980510
N'-[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutyl]-2,2,2-trifluoroacetohydrazide
CID 138691851
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
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)-2,2-dimethylbutanoyl]hydrazinecarboxylate
CID 71004159
4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
CID 91281445
[[4-(2,5-Dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamic acid
CID 141356544
4-(2,5-dioxopyrrol-1-yl)-2,2,4-trimethyl-N'-propylpentanehydrazide
CID 145076354
4-(2,5-dioxopyrrol-1-yl)-N,2,2-trimethylbutanamide
CID 166990792
N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide
CID 168747550
4-(2,5-dioxopyrrol-1-yl)-N'-propan-2-ylbutanehydrazide
CID 169871699

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane (CID 159103514) is 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane is C.CC(C)(CCN1C(=O)C=CC1=O)C(=O)NN.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane?
The InChIKey is KDOWXJIJJNLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.CH4/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15;/h3-4H,5-6,11H2,1-2H3,(H,12,16);1H4.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane?
4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane has a molecular weight of 241.29 g/mol, XLogP of -0.05, 4 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)-2,2-dimethylbutanehydrazide;methane is sourced from PubChem (CID 159103514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).