1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione

C8H13N3O2 — CID 112546342

IUPAC1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C2CCCN2)C1=O
InChIInChI=1S/C8H13N3O2/c1-10-5-7(12)11(8(10)13)6-3-2-4-9-6/h6,9H,2-5H2,1H3
InChIKeyRICQOECXLPPLOS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.41
Rot. Bonds1

About 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione

1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione (PubChem CID 112546342) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
PubChem CID112546342
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C2CCCN2)C1=O
InChIInChI=1S/C8H13N3O2/c1-10-5-7(12)11(8(10)13)6-3-2-4-9-6/h6,9H,2-5H2,1H3
InChIKeyRICQOECXLPPLOS-UHFFFAOYSA-N
XLogP-0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546551
3-(2-aminocyclohexyl)-1-methylimidazolidine-2,4-dione
CID 83820954
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401
3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
CID 83816103
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
5-methyl-1-pyrrolidin-2-ylpiperidin-2-one
CID 112546332
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
7-methyl-1,2,3,4,4a,5,8,8a-octahydro-1,7-naphthyridin-6-one
CID 142187825
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
CID 112546349
3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one
CID 168858701
2-methyl-1-pyrrolidin-2-yl-1,4-diazepane-5,7-dione
CID 112546600
1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione (CID 112546342) is 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione is CN1CC(=O)N(C2CCCN2)C1=O.
What is the InChIKey of 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione?
The InChIKey is RICQOECXLPPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10-5-7(12)11(8(10)13)6-3-2-4-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione?
1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 112546342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).