3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione

C9H15N3O2 — CID 104976660

IUPAC3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@H]1CN(C2CC(=O)NC2=O)CCN1
InChIInChI=1S/C9H15N3O2/c1-6-5-12(3-2-10-6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14)/t6-,7?/m0/s1
InChIKeyVZSRMCPIROZDKY-PKPIPKONSA-N
MW197.24 g/mol
LogP-1.30
Rot. Bonds1

About 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione

3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 104976660) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID104976660
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESC[C@H]1CN(C2CC(=O)NC2=O)CCN1
InChIInChI=1S/C9H15N3O2/c1-6-5-12(3-2-10-6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14)/t6-,7?/m0/s1
InChIKeyVZSRMCPIROZDKY-PKPIPKONSA-N
XLogP-1.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 104976660) is 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione is C[C@H]1CN(C2CC(=O)NC2=O)CCN1.
What is the InChIKey of 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is VZSRMCPIROZDKY-PKPIPKONSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-12(3-2-10-6)7-4-8(13)11-9(7)14/h6-7,10H,2-5H2,1H3,(H,11,13,14)/t6-,7?/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 104976660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).