4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile

C14H14N2O2 — CID 43292183

IUPAC4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OC1CCCC1C#N
InChIInChI=1S/C14H14N2O2/c1-17-14-7-10(8-15)5-6-13(14)18-12-4-2-3-11(12)9-16/h5-7,11-12H,2-4H2,1H3
InChIKeyLJKFKZMZGAVGEF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile

4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile (PubChem CID 43292183) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
PubChem CID43292183
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OC1CCCC1C#N
InChIInChI=1S/C14H14N2O2/c1-17-14-7-10(8-15)5-6-13(14)18-12-4-2-3-11(12)9-16/h5-7,11-12H,2-4H2,1H3
InChIKeyLJKFKZMZGAVGEF-UHFFFAOYSA-N
XLogP2.64
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292493
2-(3,5-dimethoxyphenoxy)cyclohexane-1-carbonitrile
CID 43589877
2-(4-cyano-2-methoxyanilino)cycloheptane-1-carbonitrile
CID 104848615
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzonitrile
CID 64734756
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
3-(2-hydroxycyclopentyl)oxy-4-methylbenzonitrile
CID 107659871
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
CID 43292647
3-methoxy-4-(2-oxooxolan-3-yl)oxybenzonitrile
CID 43176438
2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580
2-(2-cyanocyclohexyl)oxy-3-methoxybenzoic acid
CID 117054033
4-methoxy-3-(oxetan-3-yloxy)benzonitrile
CID 117293213

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile?
The IUPAC name of 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile (CID 43292183) is 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile.
What is the SMILES notation for 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile?
The canonical SMILES for 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile is COc1cc(C#N)ccc1OC1CCCC1C#N.
What is the InChIKey of 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile?
The InChIKey is LJKFKZMZGAVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-14-7-10(8-15)5-6-13(14)18-12-4-2-3-11(12)9-16/h5-7,11-12H,2-4H2,1H3.
What are the key properties of 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile?
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile is sourced from PubChem (CID 43292183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).