1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide

C11H22N4O2 — CID 79408269

IUPAC1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)C(C)C(=O)NN
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-12)8(2)15-6-4-5-9(15)11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyXTHMXZLWDHNZAR-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.79
Rot. Bonds4

About 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide

1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 79408269) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID79408269
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)C(C)C(=O)NN
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-12)8(2)15-6-4-5-9(15)11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyXTHMXZLWDHNZAR-UHFFFAOYSA-N
XLogP-0.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 79408269) is 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(C)C(C)C(=O)NN.
What is the InChIKey of 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XTHMXZLWDHNZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-7(10(16)14-12)8(2)15-6-4-5-9(15)11(17)13-3/h7-9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79408269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).