1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide

C13H21N3O — CID 80593325

IUPAC1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(C#N)CC1)CN1CCCC1
InChIInChI=1S/C13H21N3O/c1-11(9-16-6-2-3-7-16)8-15-12(17)13(10-14)4-5-13/h11H,2-9H2,1H3,(H,15,17)
InChIKeyZHOSOOHKIJEQMD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.14
Rot. Bonds5

About 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide

1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 80593325) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID80593325
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(CNC(=O)C1(C#N)CC1)CN1CCCC1
InChIInChI=1S/C13H21N3O/c1-11(9-16-6-2-3-7-16)8-15-12(17)13(10-14)4-5-13/h11H,2-9H2,1H3,(H,15,17)
InChIKeyZHOSOOHKIJEQMD-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide (CID 80593325) is 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide is CC(CNC(=O)C1(C#N)CC1)CN1CCCC1.
What is the InChIKey of 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is ZHOSOOHKIJEQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(9-16-6-2-3-7-16)8-15-12(17)13(10-14)4-5-13/h11H,2-9H2,1H3,(H,15,17).
What are the key properties of 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide?
1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80593325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).