5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione

C9H11N3O2 — CID 116856134

IUPAC5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione
SMILESCC1(c2ccc[nH]2)CNC(=O)C(=O)N1
InChIInChI=1S/C9H11N3O2/c1-9(6-3-2-4-10-6)5-11-7(13)8(14)12-9/h2-4,10H,5H2,1H3,(H,11,13)(H,12,14)
InChIKeyGTUSBYLUJWBIQV-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.52
Rot. Bonds1

About 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione

5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione (PubChem CID 116856134) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione.

Molecular Properties

Compound Name5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione
PubChem CID116856134
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione
SMILESCC1(c2ccc[nH]2)CNC(=O)C(=O)N1
InChIInChI=1S/C9H11N3O2/c1-9(6-3-2-4-10-6)5-11-7(13)8(14)12-9/h2-4,10H,5H2,1H3,(H,11,13)(H,12,14)
InChIKeyGTUSBYLUJWBIQV-UHFFFAOYSA-N
XLogP-0.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
CID 116856090
4,4-dimethyl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
CID 140979475
1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
CID 116844165
5-cyclohexyl-5-methylpiperazine-2,3-dione
CID 116856177
3-cyclohexyl-1H-pyridin-2-one
CID 54127669
2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
CID 83696021
8-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 133054201
6,6-dimethyl-1,4-oxazepane-2,3-dione
CID 143776070
4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione?
The IUPAC name of 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione (CID 116856134) is 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione.
What is the SMILES notation for 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione?
The canonical SMILES for 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione is CC1(c2ccc[nH]2)CNC(=O)C(=O)N1.
What is the InChIKey of 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione?
The InChIKey is GTUSBYLUJWBIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-9(6-3-2-4-10-6)5-11-7(13)8(14)12-9/h2-4,10H,5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione?
5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione has a molecular weight of 193.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione is sourced from PubChem (CID 116856134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).