4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide

C8H13N3O3 — CID 15424939

IUPAC4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)NC(=O)NC1=O
InChIInChI=1S/C8H13N3O3/c1-4(2)9-5(12)8(3)6(13)10-7(14)11-8/h4H,1-3H3,(H,9,12)(H2,10,11,13,14)
InChIKeySNCKRFNIQFQYNO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.89
Rot. Bonds2

About 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide

4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide (PubChem CID 15424939) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide
PubChem CID15424939
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide
SMILESCC(C)NC(=O)C1(C)NC(=O)NC1=O
InChIInChI=1S/C8H13N3O3/c1-4(2)9-5(12)8(3)6(13)10-7(14)11-8/h4H,1-3H3,(H,9,12)(H2,10,11,13,14)
InChIKeySNCKRFNIQFQYNO-UHFFFAOYSA-N
XLogP-0.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide?
The IUPAC name of 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide (CID 15424939) is 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide is CC(C)NC(=O)C1(C)NC(=O)NC1=O.
What is the InChIKey of 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide?
The InChIKey is SNCKRFNIQFQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4(2)9-5(12)8(3)6(13)10-7(14)11-8/h4H,1-3H3,(H,9,12)(H2,10,11,13,14).
What are the key properties of 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide?
4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-dioxo-N-propan-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 15424939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).