(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile

C15H19N3O2 — CID 31580120

IUPAC(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H19N3O2/c16-8-4-5-12(10-17)11-18-13(19)9-15(14(18)20)6-2-1-3-7-15/h12H,1-7,9,11H2/t12-/m0/s1
InChIKeyPGVRMKBSDWKOQH-LBPRGKRZSA-N
MW273.34 g/mol
LogP2.14
Rot. Bonds4

About (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile

(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile (PubChem CID 31580120) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile
PubChem CID31580120
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile
SMILESN#CCC[C@@H](C#N)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H19N3O2/c16-8-4-5-12(10-17)11-18-13(19)9-15(14(18)20)6-2-1-3-7-15/h12H,1-7,9,11H2/t12-/m0/s1
InChIKeyPGVRMKBSDWKOQH-LBPRGKRZSA-N
XLogP2.14
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
2-(3-amino-2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 62667991
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)butanenitrile
CID 61122730
2-(2-amino-3-hydroxybutyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64539399
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107155565
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-[(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)methyl]pentanedinitrile
CID 42955377
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)propanenitrile
CID 54904488
4-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)-2-hydroxybutanoic acid
CID 107835367
(2S)-2-[[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]pentanedinitrile
CID 100842105
3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile
CID 62646183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile (CID 31580120) is (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile is N#CCC[C@@H](C#N)CN1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile?
The InChIKey is PGVRMKBSDWKOQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-8-4-5-12(10-17)11-18-13(19)9-15(14(18)20)6-2-1-3-7-15/h12H,1-7,9,11H2/t12-/m0/s1.
What are the key properties of (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile?
(2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile has a molecular weight of 273.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]pentanedinitrile is sourced from PubChem (CID 31580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).