3-[(1R,2R)-2-aminocyclopentyl]benzonitrile

C12H14N2 — CID 130943914

IUPAC3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
SMILESN#Cc1cccc([C@H]2CCC[C@H]2N)c1
InChIInChI=1S/C12H14N2/c13-8-9-3-1-4-10(7-9)11-5-2-6-12(11)14/h1,3-4,7,11-12H,2,5-6,14H2/t11-,12-/m1/s1
InChIKeyPJDATNFHJOTVGE-VXGBXAGGSA-N
MW186.26 g/mol
LogP2.15
Rot. Bonds1

About 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile

3-[(1R,2R)-2-aminocyclopentyl]benzonitrile (PubChem CID 130943914) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile.

Molecular Properties

Compound Name3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
PubChem CID130943914
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
SMILESN#Cc1cccc([C@H]2CCC[C@H]2N)c1
InChIInChI=1S/C12H14N2/c13-8-9-3-1-4-10(7-9)11-5-2-6-12(11)14/h1,3-4,7,11-12H,2,5-6,14H2/t11-,12-/m1/s1
InChIKeyPJDATNFHJOTVGE-VXGBXAGGSA-N
XLogP2.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile?
The IUPAC name of 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile (CID 130943914) is 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile.
What is the SMILES notation for 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile?
The canonical SMILES for 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile is N#Cc1cccc([C@H]2CCC[C@H]2N)c1.
What is the InChIKey of 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile?
The InChIKey is PJDATNFHJOTVGE-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-9-3-1-4-10(7-9)11-5-2-6-12(11)14/h1,3-4,7,11-12H,2,5-6,14H2/t11-,12-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile?
3-[(1R,2R)-2-aminocyclopentyl]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-aminocyclopentyl]benzonitrile is sourced from PubChem (CID 130943914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).