3-aminocyclopropane-1,2-dicarbonitrile

C5H5N3 — CID 130971261

IUPAC3-aminocyclopropane-1,2-dicarbonitrile
SMILESN#CC1C(N)C1C#N
InChIInChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2
InChIKeyUHUAQLJMGVLTLA-UHFFFAOYSA-N
MW107.12 g/mol
LogP-0.39
Rot. Bonds

About 3-aminocyclopropane-1,2-dicarbonitrile

3-aminocyclopropane-1,2-dicarbonitrile (PubChem CID 130971261) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 3-aminocyclopropane-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-aminocyclopropane-1,2-dicarbonitrile
PubChem CID130971261
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name3-aminocyclopropane-1,2-dicarbonitrile
SMILESN#CC1C(N)C1C#N
InChIInChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2
InChIKeyUHUAQLJMGVLTLA-UHFFFAOYSA-N
XLogP-0.39
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminocyclopropane-1,2-dicarbonitrile?
The IUPAC name of 3-aminocyclopropane-1,2-dicarbonitrile (CID 130971261) is 3-aminocyclopropane-1,2-dicarbonitrile.
What is the SMILES notation for 3-aminocyclopropane-1,2-dicarbonitrile?
The canonical SMILES for 3-aminocyclopropane-1,2-dicarbonitrile is N#CC1C(N)C1C#N.
What is the InChIKey of 3-aminocyclopropane-1,2-dicarbonitrile?
The InChIKey is UHUAQLJMGVLTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2.
What are the key properties of 3-aminocyclopropane-1,2-dicarbonitrile?
3-aminocyclopropane-1,2-dicarbonitrile has a molecular weight of 107.12 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclopropane-1,2-dicarbonitrile is sourced from PubChem (CID 130971261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).