1-phenylmethoxycyclopentane-1-carbonitrile

C13H15NO — CID 174519506

IUPAC1-phenylmethoxycyclopentane-1-carbonitrile
SMILESN#CC1(OCc2ccccc2)CCCC1
InChIInChI=1S/C13H15NO/c14-11-13(8-4-5-9-13)15-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyXGXBYQWRPGLRDA-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.04
Rot. Bonds3

About 1-phenylmethoxycyclopentane-1-carbonitrile

1-phenylmethoxycyclopentane-1-carbonitrile (PubChem CID 174519506) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-phenylmethoxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-phenylmethoxycyclopentane-1-carbonitrile
PubChem CID174519506
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-phenylmethoxycyclopentane-1-carbonitrile
SMILESN#CC1(OCc2ccccc2)CCCC1
InChIInChI=1S/C13H15NO/c14-11-13(8-4-5-9-13)15-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2
InChIKeyXGXBYQWRPGLRDA-UHFFFAOYSA-N
XLogP3.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
2-(1-phenylmethoxycyclohexyl)acetaldehyde
CID 115039002
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
2-fluoro-2-phenylmethoxycyclopropane-1-carbonitrile
CID 14763608
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
(1-cyanocyclohexyl) 2-phenylsulfanylacetate
CID 71063207
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
1-[benzyl(trimethylsilyl)amino]cyclohexane-1-carbonitrile
CID 71444781
1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 18924232

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxycyclopentane-1-carbonitrile?
The IUPAC name of 1-phenylmethoxycyclopentane-1-carbonitrile (CID 174519506) is 1-phenylmethoxycyclopentane-1-carbonitrile.
What is the SMILES notation for 1-phenylmethoxycyclopentane-1-carbonitrile?
The canonical SMILES for 1-phenylmethoxycyclopentane-1-carbonitrile is N#CC1(OCc2ccccc2)CCCC1.
What is the InChIKey of 1-phenylmethoxycyclopentane-1-carbonitrile?
The InChIKey is XGXBYQWRPGLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-11-13(8-4-5-9-13)15-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 1-phenylmethoxycyclopentane-1-carbonitrile?
1-phenylmethoxycyclopentane-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxycyclopentane-1-carbonitrile is sourced from PubChem (CID 174519506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).