cyclopentanol;4-methylbenzonitrile

C13H17NO — CID 144616073

IUPACcyclopentanol;4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1.OC1CCCC1
InChIInChI=1S/C8H7N.C5H10O/c1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-5/h2-5H,1H3;5-6H,1-4H2
InChIKeyVHTFXLYJAUQLFN-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.79
Rot. Bonds

About cyclopentanol;4-methylbenzonitrile

cyclopentanol;4-methylbenzonitrile (PubChem CID 144616073) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is cyclopentanol;4-methylbenzonitrile.

Molecular Properties

Compound Namecyclopentanol;4-methylbenzonitrile
PubChem CID144616073
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Namecyclopentanol;4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1.OC1CCCC1
InChIInChI=1S/C8H7N.C5H10O/c1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-5/h2-5H,1H3;5-6H,1-4H2
InChIKeyVHTFXLYJAUQLFN-UHFFFAOYSA-N
XLogP2.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentanol;4-methylbenzonitrile?
The IUPAC name of cyclopentanol;4-methylbenzonitrile (CID 144616073) is cyclopentanol;4-methylbenzonitrile.
What is the SMILES notation for cyclopentanol;4-methylbenzonitrile?
The canonical SMILES for cyclopentanol;4-methylbenzonitrile is Cc1ccc(C#N)cc1.OC1CCCC1.
What is the InChIKey of cyclopentanol;4-methylbenzonitrile?
The InChIKey is VHTFXLYJAUQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H10O/c1-7-2-4-8(6-9)5-3-7;6-5-3-1-2-4-5/h2-5H,1H3;5-6H,1-4H2.
What are the key properties of cyclopentanol;4-methylbenzonitrile?
cyclopentanol;4-methylbenzonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;4-methylbenzonitrile is sourced from PubChem (CID 144616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).