cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile

C6H8N2 — CID 97000127

IUPACcis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@@H]1C[C@]1(N)C#N
InChIInChI=1S/C6H8N2/c1-2-5-3-6(5,8)4-7/h2,5H,1,3,8H2/t5-,6+/m1/s1
InChIKeyARUOAADRSAMGHK-RITPCOANSA-N
MW108.14 g/mol
LogP0.41
Rot. Bonds1

About cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile

cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile (PubChem CID 97000127) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile
PubChem CID97000127
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Namecis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile
SMILESC=C[C@@H]1C[C@]1(N)C#N
InChIInChI=1S/C6H8N2/c1-2-5-3-6(5,8)4-7/h2,5H,1,3,8H2/t5-,6+/m1/s1
InChIKeyARUOAADRSAMGHK-RITPCOANSA-N
XLogP0.41
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile?
The IUPAC name of cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile (CID 97000127) is cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile?
The canonical SMILES for cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile is C=C[C@@H]1C[C@]1(N)C#N.
What is the InChIKey of cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile?
The InChIKey is ARUOAADRSAMGHK-RITPCOANSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-5-3-6(5,8)4-7/h2,5H,1,3,8H2/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile?
cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile has a molecular weight of 108.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-amino-2-ethenylcyclopropane-1-carbonitrile is sourced from PubChem (CID 97000127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).