N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide

C8H10N4O3 — CID 23461530

IUPACN-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NCC(=O)N1CC1C#N
InChIInChI=1S/C8H10N4O3/c1-5(13)11-8(15)10-3-7(14)12-4-6(12)2-9/h6H,3-4H2,1H3,(H2,10,11,13,15)
InChIKeyDRTPFJKYZZXLEG-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.43
Rot. Bonds2

About N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide

N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide (PubChem CID 23461530) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide
PubChem CID23461530
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC NameN-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)NCC(=O)N1CC1C#N
InChIInChI=1S/C8H10N4O3/c1-5(13)11-8(15)10-3-7(14)12-4-6(12)2-9/h6H,3-4H2,1H3,(H2,10,11,13,15)
InChIKeyDRTPFJKYZZXLEG-UHFFFAOYSA-N
XLogP-1.43
TPSA102.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide?
The IUPAC name of N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide (CID 23461530) is N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide?
The canonical SMILES for N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide is CC(=O)NC(=O)NCC(=O)N1CC1C#N.
What is the InChIKey of N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide?
The InChIKey is DRTPFJKYZZXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-5(13)11-8(15)10-3-7(14)12-4-6(12)2-9/h6H,3-4H2,1H3,(H2,10,11,13,15).
What are the key properties of N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide?
N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide has a molecular weight of 210.19 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]carbamoyl]acetamide is sourced from PubChem (CID 23461530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).