N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C11H13N3O4 — CID 9379902

IUPACN-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESC#CCNC(=O)CN1C(=O)C(=O)N(CCC)C1=O
InChIInChI=1S/C11H13N3O4/c1-3-5-12-8(15)7-14-10(17)9(16)13(6-4-2)11(14)18/h1H,4-7H2,2H3,(H,12,15)
InChIKeyMQLWGVPSEIIRMW-UHFFFAOYSA-N
MW251.24 g/mol
LogP-1.06
Rot. Bonds5

About N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 9379902) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID9379902
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESC#CCNC(=O)CN1C(=O)C(=O)N(CCC)C1=O
InChIInChI=1S/C11H13N3O4/c1-3-5-12-8(15)7-14-10(17)9(16)13(6-4-2)11(14)18/h1H,4-7H2,2H3,(H,12,15)
InChIKeyMQLWGVPSEIIRMW-UHFFFAOYSA-N
XLogP-1.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 9379902) is N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is C#CCNC(=O)CN1C(=O)C(=O)N(CCC)C1=O.
What is the InChIKey of N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is MQLWGVPSEIIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-3-5-12-8(15)7-14-10(17)9(16)13(6-4-2)11(14)18/h1H,4-7H2,2H3,(H,12,15).
What are the key properties of N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 251.24 g/mol, XLogP of -1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9379902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).