4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile

C8H12N2 — CID 170607697

IUPAC4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile
SMILESCN1C(C#N)CCC12CC2
InChIInChI=1S/C8H12N2/c1-10-7(6-9)2-3-8(10)4-5-8/h7H,2-5H2,1H3
InChIKeyZTVXSGPGIQQVPB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.14
Rot. Bonds

About 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile

4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile (PubChem CID 170607697) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile
PubChem CID170607697
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile
SMILESCN1C(C#N)CCC12CC2
InChIInChI=1S/C8H12N2/c1-10-7(6-9)2-3-8(10)4-5-8/h7H,2-5H2,1H3
InChIKeyZTVXSGPGIQQVPB-UHFFFAOYSA-N
XLogP1.14
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylspiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carbonitrile
CID 105431961
(5R)-5-ethyl-4-methyl-4-azaspiro[2.4]heptane
CID 158540450
4,5-dimethyl-4-azaspiro[2.5]octane
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4,5-dimethyl-4-azaspiro[2.5]octane;ethane
CID 178026698
(2S,5R)-5-ethynyl-1-methylpyrrolidine-2-carbonitrile
CID 59683652
(5S)-4-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-4-azaspiro[2.4]heptane-5-carbonitrile
CID 163846804
1-(trideuteriomethyl)aziridine-2-carbonitrile
CID 101289908
1,2,2-trimethylbicyclo[2.2.1]heptane-7-carbonitrile
CID 70100007
ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile
CID 171103608
5-ethynyl-1-phosphanylpyrrolidine-2-carbonitrile
CID 143615652
4-methyl-4-azaspiro[2.5]octan-6-ol
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1-methylpiperidine-4-carbonitrile
CID 11789206

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile?
The IUPAC name of 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile (CID 170607697) is 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile.
What is the SMILES notation for 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile?
The canonical SMILES for 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile is CN1C(C#N)CCC12CC2.
What is the InChIKey of 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile?
The InChIKey is ZTVXSGPGIQQVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-7(6-9)2-3-8(10)4-5-8/h7H,2-5H2,1H3.
What are the key properties of 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile?
4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-azaspiro[2.4]heptane-5-carbonitrile is sourced from PubChem (CID 170607697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).