3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide

C13H25N3O2 — CID 104512871

IUPAC3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CC(C(C)(C)C)CC1=O)C(=O)NN
InChIInChI=1S/C13H25N3O2/c1-12(2,3)9-6-10(17)16(7-9)8-13(4,5)11(18)15-14/h9H,6-8,14H2,1-5H3,(H,15,18)
InChIKeyMWXKDPAMCSKSTJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.90
Rot. Bonds3

About 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide

3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 104512871) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID104512871
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CC(C(C)(C)C)CC1=O)C(=O)NN
InChIInChI=1S/C13H25N3O2/c1-12(2,3)9-6-10(17)16(7-9)8-13(4,5)11(18)15-14/h9H,6-8,14H2,1-5H3,(H,15,18)
InChIKeyMWXKDPAMCSKSTJ-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide
CID 79941768
ethyl 4-(4-tert-butyl-2-oxopyrrolidin-1-yl)-3-oxobutanoate
CID 104512278
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630790
1-[2-(bromomethyl)-2-ethylbutyl]-4-tert-butylpyrrolidin-2-one
CID 104511311
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
4-tert-butyl-1-(3-methoxy-2-oxopropyl)pyrrolidin-2-one
CID 107507877
N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
CID 104510942
2,2-dimethyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanehydrazide
CID 79626505
4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
CID 104512795
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide (CID 104512871) is 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(CN1CC(C(C)(C)C)CC1=O)C(=O)NN.
What is the InChIKey of 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is MWXKDPAMCSKSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2,3)9-6-10(17)16(7-9)8-13(4,5)11(18)15-14/h9H,6-8,14H2,1-5H3,(H,15,18).
What are the key properties of 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide?
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 255.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 104512871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).