trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile

C6H10N2 — CID 50989537

IUPACtrans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2/t5-,6-/m0/s1
InChIKeyHERJCJRIDHRCKG-WDSKDSINSA-N
MW110.16 g/mol
LogP0.64
Rot. Bonds

About trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile

trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile (PubChem CID 50989537) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
PubChem CID50989537
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Nametrans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2/t5-,6-/m0/s1
InChIKeyHERJCJRIDHRCKG-WDSKDSINSA-N
XLogP0.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile (CID 50989537) is trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile is N#C[C@@H]1CCC[C@@H]1N.
What is the InChIKey of trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile?
The InChIKey is HERJCJRIDHRCKG-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2/t5-,6-/m0/s1.
What are the key properties of trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile?
trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile is sourced from PubChem (CID 50989537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).