4,4-dimethylpyrrolidine-3-carbonitrile

C7H12N2 — CID 121199312

IUPAC4,4-dimethylpyrrolidine-3-carbonitrile
SMILESCC1(C)CNCC1C#N
InChIInChI=1S/C7H12N2/c1-7(2)5-9-4-6(7)3-8/h6,9H,4-5H2,1-2H3
InChIKeyWHLJSWSDKRQAPK-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.76
Rot. Bonds

About 4,4-dimethylpyrrolidine-3-carbonitrile

4,4-dimethylpyrrolidine-3-carbonitrile (PubChem CID 121199312) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4,4-dimethylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name4,4-dimethylpyrrolidine-3-carbonitrile
PubChem CID121199312
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4,4-dimethylpyrrolidine-3-carbonitrile
SMILESCC1(C)CNCC1C#N
InChIInChI=1S/C7H12N2/c1-7(2)5-9-4-6(7)3-8/h6,9H,4-5H2,1-2H3
InChIKeyWHLJSWSDKRQAPK-UHFFFAOYSA-N
XLogP0.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
5-methyl-2-oxa-7-azaspiro[3.5]nonane-9-carbonitrile
CID 83959975
(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
(3S,4S)-5,5-dimethylpiperidine-3,4-diol
CID 11550031
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrazolo[4,3-c]pyridine
CID 170905784
(4S)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidine
CID 166075509
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
CID 167138391
(1S,2S,4R)-1-methyl-5-oxobicyclo[2.2.1]heptane-2-carbonitrile
CID 11804929
(1R,5S)-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 124583173
3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 23329187
2,2-dimethylcyclopropane-1-carbonitrile;2,2-dimethylcyclopropane-1-carboxamide
CID 174496541

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrrolidine-3-carbonitrile?
The IUPAC name of 4,4-dimethylpyrrolidine-3-carbonitrile (CID 121199312) is 4,4-dimethylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 4,4-dimethylpyrrolidine-3-carbonitrile?
The canonical SMILES for 4,4-dimethylpyrrolidine-3-carbonitrile is CC1(C)CNCC1C#N.
What is the InChIKey of 4,4-dimethylpyrrolidine-3-carbonitrile?
The InChIKey is WHLJSWSDKRQAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2)5-9-4-6(7)3-8/h6,9H,4-5H2,1-2H3.
What are the key properties of 4,4-dimethylpyrrolidine-3-carbonitrile?
4,4-dimethylpyrrolidine-3-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 121199312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).