(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile

C15H19NO — CID 102256914

IUPAC(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
SMILESN#CC[C@@H](OCc1ccccc1)C1CCCC1
InChIInChI=1S/C15H19NO/c16-11-10-15(14-8-4-5-9-14)17-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-10,12H2/t15-/m1/s1
InChIKeyCVZLDUZJFXCQAG-OAHLLOKOSA-N
MW229.32 g/mol
LogP3.68
Rot. Bonds5

About (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile

(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile (PubChem CID 102256914) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile.

Molecular Properties

Compound Name(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
PubChem CID102256914
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
SMILESN#CC[C@@H](OCc1ccccc1)C1CCCC1
InChIInChI=1S/C15H19NO/c16-11-10-15(14-8-4-5-9-14)17-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-10,12H2/t15-/m1/s1
InChIKeyCVZLDUZJFXCQAG-OAHLLOKOSA-N
XLogP3.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile?
The IUPAC name of (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile (CID 102256914) is (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile.
What is the SMILES notation for (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile?
The canonical SMILES for (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile is N#CC[C@@H](OCc1ccccc1)C1CCCC1.
What is the InChIKey of (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile?
The InChIKey is CVZLDUZJFXCQAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO/c16-11-10-15(14-8-4-5-9-14)17-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-10,12H2/t15-/m1/s1.
What are the key properties of (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile?
(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile has a molecular weight of 229.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile is sourced from PubChem (CID 102256914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).