1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one

C13H20N4O — CID 104512787

IUPAC1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2cccc(NN)n2)C1
InChIInChI=1S/C13H20N4O/c1-9(2)10-6-13(18)17(7-10)8-11-4-3-5-12(15-11)16-14/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyWBVYTQZGKAOJSQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds4

About 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one

1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104512787) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104512787
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(Cc2cccc(NN)n2)C1
InChIInChI=1S/C13H20N4O/c1-9(2)10-6-13(18)17(7-10)8-11-4-3-5-12(15-11)16-14/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16)
InChIKeyWBVYTQZGKAOJSQ-UHFFFAOYSA-N
XLogP1.37
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one (CID 104512787) is 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(Cc2cccc(NN)n2)C1.
What is the InChIKey of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is WBVYTQZGKAOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)10-6-13(18)17(7-10)8-11-4-3-5-12(15-11)16-14/h3-5,9-10H,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one?
1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104512787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).