2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile

C11H20N4O — CID 123453716

IUPAC2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile
SMILESCN1CC2(CCCN2C)C1=O.CNCC#N
InChIInChI=1S/C8H14N2O.C3H6N2/c1-9-6-8(7(9)11)4-3-5-10(8)2;1-5-3-2-4/h3-6H2,1-2H3;5H,3H2,1H3
InChIKeyXOBRTVFCJLORBD-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.35
Rot. Bonds1

About 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile

2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile (PubChem CID 123453716) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile
PubChem CID123453716
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile
SMILESCN1CC2(CCCN2C)C1=O.CNCC#N
InChIInChI=1S/C8H14N2O.C3H6N2/c1-9-6-8(7(9)11)4-3-5-10(8)2;1-5-3-2-4/h3-6H2,1-2H3;5H,3H2,1H3
InChIKeyXOBRTVFCJLORBD-UHFFFAOYSA-N
XLogP-0.35
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
CID 134396434
1,10-dimethyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139383969
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
CID 130291955
1-methyl-1-azaspiro[4.6]undecan-4-one
CID 18468802
2,3a,7a-trimethyl-3-oxo-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carbonitrile;methane
CID 158540539
ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
2-[9-(1-fluorocyclobutanecarbonyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-4-yl]acetonitrile
CID 131684610
3,3-difluoro-1-methylpiperidin-2-one
CID 145310126
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 82148650
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
3-amino-1-methyl-3-prop-2-ynylpiperidin-2-one
CID 118048800

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile?
The IUPAC name of 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile (CID 123453716) is 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile.
What is the SMILES notation for 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile?
The canonical SMILES for 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile is CN1CC2(CCCN2C)C1=O.CNCC#N.
What is the InChIKey of 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile?
The InChIKey is XOBRTVFCJLORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C3H6N2/c1-9-6-8(7(9)11)4-3-5-10(8)2;1-5-3-2-4/h3-6H2,1-2H3;5H,3H2,1H3.
What are the key properties of 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile?
2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile has a molecular weight of 224.31 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile is sourced from PubChem (CID 123453716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).