1,2-dimethylpyrrolidine-3-carbonitrile

C7H12N2 — CID 76609008

IUPAC1,2-dimethylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1C
InChIInChI=1S/C7H12N2/c1-6-7(5-8)3-4-9(6)2/h6-7H,3-4H2,1-2H3
InChIKeyFLUVXWXDSGAFDI-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.85
Rot. Bonds

About 1,2-dimethylpyrrolidine-3-carbonitrile

1,2-dimethylpyrrolidine-3-carbonitrile (PubChem CID 76609008) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine-3-carbonitrile
PubChem CID76609008
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2-dimethylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1C
InChIInChI=1S/C7H12N2/c1-6-7(5-8)3-4-9(6)2/h6-7H,3-4H2,1-2H3
InChIKeyFLUVXWXDSGAFDI-UHFFFAOYSA-N
XLogP0.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,2,3-trimethylpyrrolidine
CID 142283455
2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
CID 117022435
1,2,3,4-tetramethylpiperazine
CID 66583347
1,2,3,4-tetramethylpiperidine
CID 23146803
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
CID 167399019
1-(2-fluorophenyl)-2-methylpyrrolidine-3-carbonitrile
CID 117022442
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
azane;1,2-dimethylpyrrolidin-3-amine
CID 175027569
3-cyclopropyl-1,2-dimethylpyrrolidine
CID 178104321
2-methylcyclobutane-1-carbonitrile
CID 105426925
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
1,3-dimethylpiperidine-2-carbonitrile
CID 56972747

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine-3-carbonitrile?
The IUPAC name of 1,2-dimethylpyrrolidine-3-carbonitrile (CID 76609008) is 1,2-dimethylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1,2-dimethylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1,2-dimethylpyrrolidine-3-carbonitrile is CC1C(C#N)CCN1C.
What is the InChIKey of 1,2-dimethylpyrrolidine-3-carbonitrile?
The InChIKey is FLUVXWXDSGAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-7(5-8)3-4-9(6)2/h6-7H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethylpyrrolidine-3-carbonitrile?
1,2-dimethylpyrrolidine-3-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 76609008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).