2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile

C14H17ClN2O — CID 82091614

IUPAC2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
SMILESCOc1ccc(Cl)cc1C(C#N)CN1CCCC1
InChIInChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)8-13(14)11(9-16)10-17-6-2-3-7-17/h4-5,8,11H,2-3,6-7,10H2,1H3
InChIKeyFAPBLCMBKQZQFK-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.05
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile

2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 82091614) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
PubChem CID82091614
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
SMILESCOc1ccc(Cl)cc1C(C#N)CN1CCCC1
InChIInChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)8-13(14)11(9-16)10-17-6-2-3-7-17/h4-5,8,11H,2-3,6-7,10H2,1H3
InChIKeyFAPBLCMBKQZQFK-UHFFFAOYSA-N
XLogP3.05
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-4-methylpentanenitrile
CID 82083990
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
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2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
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2-(5-chloro-2-methoxyphenyl)-5-phenylpentanenitrile
CID 82137909
2-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanenitrile
CID 82140662
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
2-(5-chloro-2-methoxyphenyl)-3-methylhexanenitrile
CID 107886167
2-(2-chlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 82511749
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile (CID 82091614) is 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile is COc1ccc(Cl)cc1C(C#N)CN1CCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is FAPBLCMBKQZQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-18-14-5-4-12(15)8-13(14)11(9-16)10-17-6-2-3-7-17/h4-5,8,11H,2-3,6-7,10H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile?
2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 264.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 82091614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).