3-benzyl-1-methylcyclopentane-1-carbonitrile

C14H17N — CID 142227869

IUPAC3-benzyl-1-methylcyclopentane-1-carbonitrile
SMILESCC1(C#N)CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(11-15)8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyZDNOQEHLSYEIJR-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.56
Rot. Bonds2

About 3-benzyl-1-methylcyclopentane-1-carbonitrile

3-benzyl-1-methylcyclopentane-1-carbonitrile (PubChem CID 142227869) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-benzyl-1-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-benzyl-1-methylcyclopentane-1-carbonitrile
PubChem CID142227869
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-benzyl-1-methylcyclopentane-1-carbonitrile
SMILESCC1(C#N)CCC(Cc2ccccc2)C1
InChIInChI=1S/C14H17N/c1-14(11-15)8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChIKeyZDNOQEHLSYEIJR-UHFFFAOYSA-N
XLogP3.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methylcyclopentane-1-carbonitrile?
The IUPAC name of 3-benzyl-1-methylcyclopentane-1-carbonitrile (CID 142227869) is 3-benzyl-1-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 3-benzyl-1-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 3-benzyl-1-methylcyclopentane-1-carbonitrile is CC1(C#N)CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-methylcyclopentane-1-carbonitrile?
The InChIKey is ZDNOQEHLSYEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(11-15)8-7-13(10-14)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3.
What are the key properties of 3-benzyl-1-methylcyclopentane-1-carbonitrile?
3-benzyl-1-methylcyclopentane-1-carbonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 142227869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).