1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide

C10H20N4O2 — CID 63577874

IUPAC1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCC(C(=O)NN)N1CCCC1C(=O)NC
InChIInChI=1S/C10H20N4O2/c1-3-7(10(16)13-11)14-6-4-5-8(14)9(15)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyMPYFTWXXHQIJIF-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.03
Rot. Bonds4

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

1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 63577874) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID63577874
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCC(C(=O)NN)N1CCCC1C(=O)NC
InChIInChI=1S/C10H20N4O2/c1-3-7(10(16)13-11)14-6-4-5-8(14)9(15)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyMPYFTWXXHQIJIF-UHFFFAOYSA-N
XLogP-1.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.03
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-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 63577874) is 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide is CCC(C(=O)NN)N1CCCC1C(=O)NC.
What is the InChIKey of 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MPYFTWXXHQIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-7(10(16)13-11)14-6-4-5-8(14)9(15)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide?
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63577874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).