2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide

C10H17N3O3 — CID 59864061

IUPAC2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide
SMILESNC(=O)CC1CCCNC(=O)CNC(=O)C1
InChIInChI=1S/C10H17N3O3/c11-8(14)4-7-2-1-3-12-10(16)6-13-9(15)5-7/h7H,1-6H2,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyHIMDIPWFRSWLAE-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.11
Rot. Bonds2

About 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide

2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide (PubChem CID 59864061) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide
PubChem CID59864061
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide
SMILESNC(=O)CC1CCCNC(=O)CNC(=O)C1
InChIInChI=1S/C10H17N3O3/c11-8(14)4-7-2-1-3-12-10(16)6-13-9(15)5-7/h7H,1-6H2,(H2,11,14)(H,12,16)(H,13,15)
InChIKeyHIMDIPWFRSWLAE-UHFFFAOYSA-N
XLogP-1.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide?
The IUPAC name of 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide (CID 59864061) is 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide is NC(=O)CC1CCCNC(=O)CNC(=O)C1.
What is the InChIKey of 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide?
The InChIKey is HIMDIPWFRSWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-8(14)4-7-2-1-3-12-10(16)6-13-9(15)5-7/h7H,1-6H2,(H2,11,14)(H,12,16)(H,13,15).
What are the key properties of 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide?
2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide has a molecular weight of 227.26 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1,4-diazecan-7-yl)acetamide is sourced from PubChem (CID 59864061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).