2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide

C8H12N4O3 — CID 78989549

IUPAC2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
SMILESNC(=O)CN1C(=O)NC2(CCNC2)C1=O
InChIInChI=1S/C8H12N4O3/c9-5(13)3-12-6(14)8(11-7(12)15)1-2-10-4-8/h10H,1-4H2,(H2,9,13)(H,11,15)
InChIKeyJPGWWGYELMWIMW-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.24
Rot. Bonds2

About 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide

2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 78989549) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID78989549
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
SMILESNC(=O)CN1C(=O)NC2(CCNC2)C1=O
InChIInChI=1S/C8H12N4O3/c9-5(13)3-12-6(14)8(11-7(12)15)1-2-10-4-8/h10H,1-4H2,(H2,9,13)(H,11,15)
InChIKeyJPGWWGYELMWIMW-UHFFFAOYSA-N
XLogP-2.24
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
CID 82098515
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 82148969
3-(2,3-dihydroxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931375
3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609910
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
3-[(5-bromo-3-pyridinyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 104810318
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide (CID 78989549) is 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide is NC(=O)CN1C(=O)NC2(CCNC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is JPGWWGYELMWIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-5(13)3-12-6(14)8(11-7(12)15)1-2-10-4-8/h10H,1-4H2,(H2,9,13)(H,11,15).
What are the key properties of 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide?
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 212.21 g/mol, XLogP of -2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 78989549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).