4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile

C16H25N3O2 — CID 65251834

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H25N3O2/c1-15(2,12-17)10-11-19-13(20)16(18-14(19)21)8-6-4-3-5-7-9-16/h3-11H2,1-2H3,(H,18,21)
InChIKeyXOMGZAGPHDUFOG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.96
Rot. Bonds3

About 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile

4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile (PubChem CID 65251834) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
PubChem CID65251834
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H25N3O2/c1-15(2,12-17)10-11-19-13(20)16(18-14(19)21)8-6-4-3-5-7-9-16/h3-11H2,1-2H3,(H,18,21)
InChIKeyXOMGZAGPHDUFOG-UHFFFAOYSA-N
XLogP2.96
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
CID 65257745
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
5-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2,2-dimethylpentanethioamide
CID 65259999
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17455990
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107391096

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile (CID 65251834) is 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile is CC(C)(C#N)CCN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile?
The InChIKey is XOMGZAGPHDUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-15(2,12-17)10-11-19-13(20)16(18-14(19)21)8-6-4-3-5-7-9-16/h3-11H2,1-2H3,(H,18,21).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile?
4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile has a molecular weight of 291.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).