N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide

C11H19N3O — CID 154527803

IUPACN-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H19N3O/c1-10(2,8-12)13-9(15)11(3)6-5-7-14(11)4/h5-7H2,1-4H3,(H,13,15)
InChIKeyHJZGIGNJKCQEBA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide

N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide (PubChem CID 154527803) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide
PubChem CID154527803
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C11H19N3O/c1-10(2,8-12)13-9(15)11(3)6-5-7-14(11)4/h5-7H2,1-4H3,(H,13,15)
InChIKeyHJZGIGNJKCQEBA-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyano-3-methylbutyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65250624
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide
CID 46948570
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
acetic acid;carbonocyanidic acid;tris(1,2,2,3,3-pentamethylpiperidine)
CID 175423936
2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
2-(2-cyanopropan-2-ylamino)-2-oxoacetic acid
CID 82280208
N-[4-(dimethylamino)phenyl]-1,2-dimethylpiperidine-2-carboxamide
CID 146152659
(1,2-dimethylpyrrolidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 142404110
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide (CID 154527803) is N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide is CN1CCCC1(C)C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HJZGIGNJKCQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,8-12)13-9(15)11(3)6-5-7-14(11)4/h5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide?
N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154527803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).