4-[1-(methoxymethyl)cyclopentyl]benzonitrile

C14H17NO — CID 67480439

IUPAC4-[1-(methoxymethyl)cyclopentyl]benzonitrile
SMILESCOCC1(c2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C14H17NO/c1-16-11-14(8-2-3-9-14)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3
InChIKeyBWEDLRGQQHXUJS-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.02
Rot. Bonds3

About 4-[1-(methoxymethyl)cyclopentyl]benzonitrile

4-[1-(methoxymethyl)cyclopentyl]benzonitrile (PubChem CID 67480439) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[1-(methoxymethyl)cyclopentyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(methoxymethyl)cyclopentyl]benzonitrile
PubChem CID67480439
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-[1-(methoxymethyl)cyclopentyl]benzonitrile
SMILESCOCC1(c2ccc(C#N)cc2)CCCC1
InChIInChI=1S/C14H17NO/c1-16-11-14(8-2-3-9-14)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3
InChIKeyBWEDLRGQQHXUJS-UHFFFAOYSA-N
XLogP3.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methoxymethyl)cyclopentyl]benzonitrile?
The IUPAC name of 4-[1-(methoxymethyl)cyclopentyl]benzonitrile (CID 67480439) is 4-[1-(methoxymethyl)cyclopentyl]benzonitrile.
What is the SMILES notation for 4-[1-(methoxymethyl)cyclopentyl]benzonitrile?
The canonical SMILES for 4-[1-(methoxymethyl)cyclopentyl]benzonitrile is COCC1(c2ccc(C#N)cc2)CCCC1.
What is the InChIKey of 4-[1-(methoxymethyl)cyclopentyl]benzonitrile?
The InChIKey is BWEDLRGQQHXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-11-14(8-2-3-9-14)13-6-4-12(10-15)5-7-13/h4-7H,2-3,8-9,11H2,1H3.
What are the key properties of 4-[1-(methoxymethyl)cyclopentyl]benzonitrile?
4-[1-(methoxymethyl)cyclopentyl]benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methoxymethyl)cyclopentyl]benzonitrile is sourced from PubChem (CID 67480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).