3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one

C10H16N4O2 — CID 167313258

IUPAC3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one
SMILESCC1CCN(/N=N/N2CCC(C)C2=O)C1=O
InChIInChI=1S/C10H16N4O2/c1-7-3-5-13(9(7)15)11-12-14-6-4-8(2)10(14)16/h7-8H,3-6H2,1-2H3/b12-11+
InChIKeyGRXGSWBFIIVVND-VAWYXSNFSA-N
MW224.26 g/mol
LogP1.01
Rot. Bonds2

About 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one

3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one (PubChem CID 167313258) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one
PubChem CID167313258
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one
SMILESCC1CCN(/N=N/N2CCC(C)C2=O)C1=O
InChIInChI=1S/C10H16N4O2/c1-7-3-5-13(9(7)15)11-12-14-6-4-8(2)10(14)16/h7-8H,3-6H2,1-2H3/b12-11+
InChIKeyGRXGSWBFIIVVND-VAWYXSNFSA-N
XLogP1.01
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one (CID 167313258) is 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one is CC1CCN(/N=N/N2CCC(C)C2=O)C1=O.
What is the InChIKey of 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one?
The InChIKey is GRXGSWBFIIVVND-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-3-5-13(9(7)15)11-12-14-6-4-8(2)10(14)16/h7-8H,3-6H2,1-2H3/b12-11+.
What are the key properties of 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one?
3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-(3-methyl-2-oxopyrrolidin-1-yl)diazenyl]pyrrolidin-2-one is sourced from PubChem (CID 167313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).