3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide

C8H12FN3O — CID 126992140

IUPAC3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H12FN3O/c1-11(2)7(13)12-4-3-8(9,5-10)6-12/h3-4,6H2,1-2H3
InChIKeyBAGACIRFVBKORL-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.61
Rot. Bonds

About 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide

3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 126992140) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID126992140
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H12FN3O/c1-11(2)7(13)12-4-3-8(9,5-10)6-12/h3-4,6H2,1-2H3
InChIKeyBAGACIRFVBKORL-UHFFFAOYSA-N
XLogP0.61
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
CID 130735483
4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83265091
1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
CID 131084206
N-[1-(3-cyano-3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 123834584
4-(difluoromethyl)-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83266382
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
3-fluoro-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131134151
N,N-dimethyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605545
4-cyano-N,N-dimethyl-4-(4-methylanilino)piperidine-1-carboxamide
CID 83268982
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050

Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide (CID 126992140) is 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CCC(F)(C#N)C1.
What is the InChIKey of 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is BAGACIRFVBKORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-11(2)7(13)12-4-3-8(9,5-10)6-12/h3-4,6H2,1-2H3.
What are the key properties of 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide?
3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 185.20 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126992140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).