3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione

C10H15N3O2 — CID 3250934

IUPAC3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
SMILESCN1CCN(C=C2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H15N3O2/c1-12-2-4-13(5-3-12)7-8-9(14)6-11-10(8)15/h7H,2-6H2,1H3,(H,11,15)
InChIKeyJVXOVCWPZUGTPU-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.18
Rot. Bonds1

About 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione

3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione (PubChem CID 3250934) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
PubChem CID3250934
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione
SMILESCN1CCN(C=C2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H15N3O2/c1-12-2-4-13(5-3-12)7-8-9(14)6-11-10(8)15/h7H,2-6H2,1H3,(H,11,15)
InChIKeyJVXOVCWPZUGTPU-UHFFFAOYSA-N
XLogP-1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione (CID 3250934) is 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione is CN1CCN(C=C2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is JVXOVCWPZUGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-2-4-13(5-3-12)7-8-9(14)6-11-10(8)15/h7H,2-6H2,1H3,(H,11,15).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione?
3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of -1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 3250934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).