3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile

C10H13N3O2 — CID 18776246

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile
SMILESN#CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H13N3O2/c11-6-3-7-13-8(14)10(12-9(13)15)4-1-2-5-10/h1-5,7H2,(H,12,15)
InChIKeyPGESNTIBOXIKOR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.76
Rot. Bonds2

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile (PubChem CID 18776246) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile
PubChem CID18776246
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile
SMILESN#CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C10H13N3O2/c11-6-3-7-13-8(14)10(12-9(13)15)4-1-2-5-10/h1-5,7H2,(H,12,15)
InChIKeyPGESNTIBOXIKOR-UHFFFAOYSA-N
XLogP0.76
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-Dioxo-1,3-diazaspiro(4.4)nonan-3-yl)acetic acid
CID 4996089
1-Acetyl-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 95999
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(hydroxymethyl)-
CID 13424
1-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43840157
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(2-hydroxyethyl)-
CID 12831
Cypenhymustine
CID 164488
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-cyclohexyl-
CID 3041342
3-(2,4-Dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanenitrile
CID 16227622
2-{2,4-Dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetonitrile
CID 2578467
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N,N-dimethylacetamide
CID 18777073
3-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 229528
3-(2-Bromoethyl)-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 24689256

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile (CID 18776246) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile is N#CCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile?
The InChIKey is PGESNTIBOXIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-6-3-7-13-8(14)10(12-9(13)15)4-1-2-5-10/h1-5,7H2,(H,12,15).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile has a molecular weight of 207.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanenitrile is sourced from PubChem (CID 18776246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).