2-(3-aminocyclopentyl)oxybenzonitrile

C12H14N2O — CID 79465196

IUPAC2-(3-aminocyclopentyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCC(N)C1
InChIInChI=1S/C12H14N2O/c13-8-9-3-1-2-4-12(9)15-11-6-5-10(14)7-11/h1-4,10-11H,5-7,14H2
InChIKeyBJPXOCYIZYAYDC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.82
Rot. Bonds2

About 2-(3-aminocyclopentyl)oxybenzonitrile

2-(3-aminocyclopentyl)oxybenzonitrile (PubChem CID 79465196) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(3-aminocyclopentyl)oxybenzonitrile.

Molecular Properties

Compound Name2-(3-aminocyclopentyl)oxybenzonitrile
PubChem CID79465196
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(3-aminocyclopentyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCC(N)C1
InChIInChI=1S/C12H14N2O/c13-8-9-3-1-2-4-12(9)15-11-6-5-10(14)7-11/h1-4,10-11H,5-7,14H2
InChIKeyBJPXOCYIZYAYDC-UHFFFAOYSA-N
XLogP1.82
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)oxybenzonitrile
CID 79465738
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
CID 54592821
3-(3-aminocyclopentyl)oxy-2-nitrobenzonitrile
CID 113445120
2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052792
ethane;2-[(3R)-oxolan-3-yl]oxybenzonitrile
CID 144718283
2-(2-adamantyloxy)benzonitrile
CID 117052786
3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile
CID 107118742
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
2-(4-aminocyclohexyl)oxypyridine-3-carbonitrile
CID 62807946
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
2-(4-aminocyclohexyl)oxyaniline
CID 117095465

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopentyl)oxybenzonitrile?
The IUPAC name of 2-(3-aminocyclopentyl)oxybenzonitrile (CID 79465196) is 2-(3-aminocyclopentyl)oxybenzonitrile.
What is the SMILES notation for 2-(3-aminocyclopentyl)oxybenzonitrile?
The canonical SMILES for 2-(3-aminocyclopentyl)oxybenzonitrile is N#Cc1ccccc1OC1CCC(N)C1.
What is the InChIKey of 2-(3-aminocyclopentyl)oxybenzonitrile?
The InChIKey is BJPXOCYIZYAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-9-3-1-2-4-12(9)15-11-6-5-10(14)7-11/h1-4,10-11H,5-7,14H2.
What are the key properties of 2-(3-aminocyclopentyl)oxybenzonitrile?
2-(3-aminocyclopentyl)oxybenzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopentyl)oxybenzonitrile is sourced from PubChem (CID 79465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).