3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile

C11H16N4O2 — CID 82148650

IUPAC3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
SMILESCN1CCC2(CC1)NC(=O)N(CCC#N)C2=O
InChIInChI=1S/C11H16N4O2/c1-14-7-3-11(4-8-14)9(16)15(6-2-5-12)10(17)13-11/h2-4,6-8H2,1H3,(H,13,17)
InChIKeyCVRSOERGEBUXGH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.08
Rot. Bonds2

About 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile

3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile (PubChem CID 82148650) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
PubChem CID82148650
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
SMILESCN1CCC2(CC1)NC(=O)N(CCC#N)C2=O
InChIInChI=1S/C11H16N4O2/c1-14-7-3-11(4-8-14)9(16)15(6-2-5-12)10(17)13-11/h2-4,6-8H2,1H3,(H,13,17)
InChIKeyCVRSOERGEBUXGH-UHFFFAOYSA-N
XLogP-0.08
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
CID 82148651
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9242043
3-[(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 82148682
3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 13424778
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
3-(9-benzyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 47090391
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
2-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148335
4-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-2,2-dimethylbutanenitrile
CID 65251834
2-[8-(2-methylprop-2-enyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148331
3-(4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanenitrile
CID 17486200

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile?
The IUPAC name of 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile (CID 82148650) is 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile.
What is the SMILES notation for 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile?
The canonical SMILES for 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile is CN1CCC2(CC1)NC(=O)N(CCC#N)C2=O.
What is the InChIKey of 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile?
The InChIKey is CVRSOERGEBUXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-7-3-11(4-8-14)9(16)15(6-2-5-12)10(17)13-11/h2-4,6-8H2,1H3,(H,13,17).
What are the key properties of 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile?
3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile has a molecular weight of 236.27 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile is sourced from PubChem (CID 82148650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).