2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile

C16H25N3O2 — CID 65257745

IUPAC2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
SMILESCC1CCC2(CC1)NC(=O)N(CCCC(C)(C)C#N)C2=O
InChIInChI=1S/C16H25N3O2/c1-12-5-8-16(9-6-12)13(20)19(14(21)18-16)10-4-7-15(2,3)11-17/h12H,4-10H2,1-3H3,(H,18,21)
InChIKeyWWYAMSHWWNPNGK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.82
Rot. Bonds4

About 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile

2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile (PubChem CID 65257745) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
PubChem CID65257745
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
SMILESCC1CCC2(CC1)NC(=O)N(CCCC(C)(C)C#N)C2=O
InChIInChI=1S/C16H25N3O2/c1-12-5-8-16(9-6-12)13(20)19(14(21)18-16)10-4-7-15(2,3)11-17/h12H,4-10H2,1-3H3,(H,18,21)
InChIKeyWWYAMSHWWNPNGK-UHFFFAOYSA-N
XLogP2.82
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.82
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

4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
CID 65251834
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
5-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-2,2-dimethylpentanenitrile
CID 136512190
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79577135
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-[[1-(2-aminoethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65481158
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
CID 49063313

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile (CID 65257745) is 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile is CC1CCC2(CC1)NC(=O)N(CCCC(C)(C)C#N)C2=O.
What is the InChIKey of 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile?
The InChIKey is WWYAMSHWWNPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-8-16(9-6-12)13(20)19(14(21)18-16)10-4-7-15(2,3)11-17/h12H,4-10H2,1-3H3,(H,18,21).
What are the key properties of 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile?
2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile has a molecular weight of 291.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile is sourced from PubChem (CID 65257745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).