1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H22N4O2 — CID 114173352

IUPAC1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CCCC(=O)NN)C1
InChIInChI=1S/C11H22N4O2/c1-11(10(17)13-2)5-7-15(8-11)6-3-4-9(16)14-12/h3-8,12H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWAUAMDATGKBZFU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.79
Rot. Bonds5

About 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 114173352) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID114173352
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(CCCC(=O)NN)C1
InChIInChI=1S/C11H22N4O2/c1-11(10(17)13-2)5-7-15(8-11)6-3-4-9(16)14-12/h3-8,12H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyWAUAMDATGKBZFU-UHFFFAOYSA-N
XLogP-0.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318064
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
(Z)-2-methyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoic acid
CID 106318992
1-[[3-(aminomethyl)-5-fluorophenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317892
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
ethyl 4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxobutanoate
CID 114172924

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 114173352) is 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(CCCC(=O)NN)C1.
What is the InChIKey of 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is WAUAMDATGKBZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(10(17)13-2)5-7-15(8-11)6-3-4-9(16)14-12/h3-8,12H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114173352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).