3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione

C11H13N3O3 — CID 66061734

IUPAC3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cccn1C
InChIInChI=1S/C11H13N3O3/c1-7-10(16)12-9(15)6-14(7)11(17)8-4-3-5-13(8)2/h3-5,7H,6H2,1-2H3,(H,12,15,16)
InChIKeyZGFCCYHVVUOSAG-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.49
Rot. Bonds1

About 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione

3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione (PubChem CID 66061734) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
PubChem CID66061734
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cccn1C
InChIInChI=1S/C11H13N3O3/c1-7-10(16)12-9(15)6-14(7)11(17)8-4-3-5-13(8)2/h3-5,7H,6H2,1-2H3,(H,12,15,16)
InChIKeyZGFCCYHVVUOSAG-UHFFFAOYSA-N
XLogP-0.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
4-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062108
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(3-bromobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061547
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314
3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
CID 66063481
4-(4-hydrazinyl-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66076244
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(2,5-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66061958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione (CID 66061734) is 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cccn1C.
What is the InChIKey of 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione?
The InChIKey is ZGFCCYHVVUOSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-10(16)12-9(15)6-14(7)11(17)8-4-3-5-13(8)2/h3-5,7H,6H2,1-2H3,(H,12,15,16).
What are the key properties of 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione?
3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpyrrole-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).