2-cyano-1-methylpyrrolidine-2-carboxamide

C7H11N3O — CID 121227036

IUPAC2-cyano-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C#N)C(N)=O
InChIInChI=1S/C7H11N3O/c1-10-4-2-3-7(10,5-8)6(9)11/h2-4H2,1H3,(H2,9,11)
InChIKeyXIPDKALSKBVDMC-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.54
Rot. Bonds1

About 2-cyano-1-methylpyrrolidine-2-carboxamide

2-cyano-1-methylpyrrolidine-2-carboxamide (PubChem CID 121227036) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-cyano-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-cyano-1-methylpyrrolidine-2-carboxamide
PubChem CID121227036
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-cyano-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1(C#N)C(N)=O
InChIInChI=1S/C7H11N3O/c1-10-4-2-3-7(10,5-8)6(9)11/h2-4H2,1H3,(H2,9,11)
InChIKeyXIPDKALSKBVDMC-UHFFFAOYSA-N
XLogP-0.54
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
3-(1,2-dimethylpyrrolidin-2-yl)prop-2-ynamide
CID 166144717
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
acetic acid;carbonocyanidic acid;tris(1,2,2,3,3-pentamethylpiperidine)
CID 175423936
1-methylaziridine-2,2-dicarboxamide
CID 13435272
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
butanedioic acid;bis((2S)-2-cyano-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
CID 69432096
2-(3-cyano-3-methylpiperidin-1-yl)acetamide
CID 130666840
N-(2-cyanopropan-2-yl)-1,2-dimethylpyrrolidine-2-carboxamide
CID 154527803
(2,2,3,3-tetramethylpiperidin-1-yl) carbamate
CID 139640627
1-(cyanomethyl)-3-hydroxypiperidine-3-carboxamide
CID 130535820
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of 2-cyano-1-methylpyrrolidine-2-carboxamide (CID 121227036) is 2-cyano-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-cyano-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-cyano-1-methylpyrrolidine-2-carboxamide is CN1CCCC1(C#N)C(N)=O.
What is the InChIKey of 2-cyano-1-methylpyrrolidine-2-carboxamide?
The InChIKey is XIPDKALSKBVDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-4-2-3-7(10,5-8)6(9)11/h2-4H2,1H3,(H2,9,11).
What are the key properties of 2-cyano-1-methylpyrrolidine-2-carboxamide?
2-cyano-1-methylpyrrolidine-2-carboxamide has a molecular weight of 153.19 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 121227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).