1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile

C13H15NO — CID 97033912

IUPAC1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(COCc2ccccc2)CCC1
InChIInChI=1S/C13H15NO/c14-10-13(7-4-8-13)11-15-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-9,11H2
InChIKeyFFLBGAKNJNLTQG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.90
Rot. Bonds4

About 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile

1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile (PubChem CID 97033912) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
PubChem CID97033912
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(COCc2ccccc2)CCC1
InChIInChI=1S/C13H15NO/c14-10-13(7-4-8-13)11-15-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-9,11H2
InChIKeyFFLBGAKNJNLTQG-UHFFFAOYSA-N
XLogP2.90
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxycyclopentane-1-carbonitrile
CID 174519506
[1-(phenylmethoxymethyl)cyclopentyl]methanol
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CID 10930944
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
CID 66734377
CID 66734377
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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile (CID 97033912) is 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile is N#CC1(COCc2ccccc2)CCC1.
What is the InChIKey of 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile?
The InChIKey is FFLBGAKNJNLTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-10-13(7-4-8-13)11-15-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-9,11H2.
What are the key properties of 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile?
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 97033912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).