3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione

C12H20N2O2 — CID 21132592

IUPAC3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCN1C(=O)N(C(C)C)C2(CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-4-13-10(15)12(7-5-6-8-12)14(9(2)3)11(13)16/h9H,4-8H2,1-3H3
InChIKeyCFEBIIUVBOAIBI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.99
Rot. Bonds2

About 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione

3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 21132592) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID21132592
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCN1C(=O)N(C(C)C)C2(CCCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-4-13-10(15)12(7-5-6-8-12)14(9(2)3)11(13)16/h9H,4-8H2,1-3H3
InChIKeyCFEBIIUVBOAIBI-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Acetyl-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 95999
1-Methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43840157
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-cyclohexyl-
CID 3041342
3-Cyclopentyl-5-sec-butyl-imidazolidine-2,4-dione
CID 5273850
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-{2,4-Dioxo-1,3-diazaspiro[4.4]nonan-3-yl}propanenitrile
CID 18776246
3-(3-Aminopropyl)-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 25323207
3-(4-Aminobutyl)-1,3-diazaspiro(4.4)nonane-2,4-dione hydrochloride
CID 75481374
3-(2-Aminoethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride
CID 75481385
N-cyclopentyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CID 2622641
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3965679

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 21132592) is 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione is CCN1C(=O)N(C(C)C)C2(CCCC2)C1=O.
What is the InChIKey of 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is CFEBIIUVBOAIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-13-10(15)12(7-5-6-8-12)14(9(2)3)11(13)16/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 21132592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).