(2S)-2-cyclopentyl-5-hydroxyhexanenitrile

C11H19NO — CID 138964008

IUPAC(2S)-2-cyclopentyl-5-hydroxyhexanenitrile
SMILESCC(O)CC[C@H](C#N)C1CCCC1
InChIInChI=1S/C11H19NO/c1-9(13)6-7-11(8-12)10-4-2-3-5-10/h9-11,13H,2-7H2,1H3/t9?,11-/m1/s1
InChIKeyPOGWPUAJNBFBFD-HCCKASOXSA-N
MW181.28 g/mol
LogP2.48
Rot. Bonds4

About (2S)-2-cyclopentyl-5-hydroxyhexanenitrile

(2S)-2-cyclopentyl-5-hydroxyhexanenitrile (PubChem CID 138964008) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-5-hydroxyhexanenitrile.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-5-hydroxyhexanenitrile
PubChem CID138964008
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-2-cyclopentyl-5-hydroxyhexanenitrile
SMILESCC(O)CC[C@H](C#N)C1CCCC1
InChIInChI=1S/C11H19NO/c1-9(13)6-7-11(8-12)10-4-2-3-5-10/h9-11,13H,2-7H2,1H3/t9?,11-/m1/s1
InChIKeyPOGWPUAJNBFBFD-HCCKASOXSA-N
XLogP2.48
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-5-hydroxyhexanenitrile?
The IUPAC name of (2S)-2-cyclopentyl-5-hydroxyhexanenitrile (CID 138964008) is (2S)-2-cyclopentyl-5-hydroxyhexanenitrile.
What is the SMILES notation for (2S)-2-cyclopentyl-5-hydroxyhexanenitrile?
The canonical SMILES for (2S)-2-cyclopentyl-5-hydroxyhexanenitrile is CC(O)CC[C@H](C#N)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-5-hydroxyhexanenitrile?
The InChIKey is POGWPUAJNBFBFD-HCCKASOXSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)6-7-11(8-12)10-4-2-3-5-10/h9-11,13H,2-7H2,1H3/t9?,11-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-5-hydroxyhexanenitrile?
(2S)-2-cyclopentyl-5-hydroxyhexanenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-5-hydroxyhexanenitrile is sourced from PubChem (CID 138964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).