cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile

C5H5N3 — CID 83814960

IUPACcis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile
SMILESN#C[C@@H]1C(N)[C@@H]1C#N
InChIInChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2/t3-,4+,5?
InChIKeyUHUAQLJMGVLTLA-NGQZWQHPSA-N
MW107.12 g/mol
LogP-0.39
Rot. Bonds

About cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile

cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile (PubChem CID 83814960) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile.

Molecular Properties

Compound Namecis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile
PubChem CID83814960
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Namecis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile
SMILESN#C[C@@H]1C(N)[C@@H]1C#N
InChIInChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2/t3-,4+,5?
InChIKeyUHUAQLJMGVLTLA-NGQZWQHPSA-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 cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile?
The IUPAC name of cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile (CID 83814960) is cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile.
What is the SMILES notation for cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile?
The canonical SMILES for cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile is N#C[C@@H]1C(N)[C@@H]1C#N.
What is the InChIKey of cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile?
The InChIKey is UHUAQLJMGVLTLA-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H5N3/c6-1-3-4(2-7)5(3)8/h3-5H,8H2/t3-,4+,5?.
What are the key properties of cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile?
cis-(1S,2R)-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 cis-(1S,2R)-3-aminocyclopropane-1,2-dicarbonitrile is sourced from PubChem (CID 83814960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).