N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide

C7H11N3O3 — CID 19863739

IUPACN-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide
SMILESCCN1CCN(NC=O)C(=O)C1=O
InChIInChI=1S/C7H11N3O3/c1-2-9-3-4-10(8-5-11)7(13)6(9)12/h5H,2-4H2,1H3,(H,8,11)
InChIKeyOKZDWYQDOBTHFB-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.66
Rot. Bonds3

About N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide

N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide (PubChem CID 19863739) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide.

Molecular Properties

Compound NameN-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide
PubChem CID19863739
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide
SMILESCCN1CCN(NC=O)C(=O)C1=O
InChIInChI=1S/C7H11N3O3/c1-2-9-3-4-10(8-5-11)7(13)6(9)12/h5H,2-4H2,1H3,(H,8,11)
InChIKeyOKZDWYQDOBTHFB-UHFFFAOYSA-N
XLogP-1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide?
The IUPAC name of N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide (CID 19863739) is N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide.
What is the SMILES notation for N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide?
The canonical SMILES for N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide is CCN1CCN(NC=O)C(=O)C1=O.
What is the InChIKey of N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide?
The InChIKey is OKZDWYQDOBTHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-9-3-4-10(8-5-11)7(13)6(9)12/h5H,2-4H2,1H3,(H,8,11).
What are the key properties of N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide?
N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide has a molecular weight of 185.18 g/mol, XLogP of -1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,3-dioxopiperazin-1-yl)formamide is sourced from PubChem (CID 19863739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).