1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile

C8H10N4O — CID 70210016

IUPAC1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile
SMILESN#CC1CCC(C#N)N1C(=O)CN
InChIInChI=1S/C8H10N4O/c9-3-6-1-2-7(4-10)12(6)8(13)5-11/h6-7H,1-2,5,11H2
InChIKeyLEVKQSZBOYIVNU-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.65
Rot. Bonds1

About 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile

1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile (PubChem CID 70210016) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile
PubChem CID70210016
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile
SMILESN#CC1CCC(C#N)N1C(=O)CN
InChIInChI=1S/C8H10N4O/c9-3-6-1-2-7(4-10)12(6)8(13)5-11/h6-7H,1-2,5,11H2
InChIKeyLEVKQSZBOYIVNU-UHFFFAOYSA-N
XLogP-0.65
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile?
The IUPAC name of 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile (CID 70210016) is 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile.
What is the SMILES notation for 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile?
The canonical SMILES for 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile is N#CC1CCC(C#N)N1C(=O)CN.
What is the InChIKey of 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile?
The InChIKey is LEVKQSZBOYIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-3-6-1-2-7(4-10)12(6)8(13)5-11/h6-7H,1-2,5,11H2.
What are the key properties of 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile?
1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile has a molecular weight of 178.19 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)pyrrolidine-2,5-dicarbonitrile is sourced from PubChem (CID 70210016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).