5-cyclopentyl-5-hydroxyhexanenitrile

C11H19NO — CID 18433865

IUPAC5-cyclopentyl-5-hydroxyhexanenitrile
SMILESCC(O)(CCCC#N)C1CCCC1
InChIInChI=1S/C11H19NO/c1-11(13,8-4-5-9-12)10-6-2-3-7-10/h10,13H,2-8H2,1H3
InChIKeyAJMGTRVUGVDVBN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.62
Rot. Bonds4

About 5-cyclopentyl-5-hydroxyhexanenitrile

5-cyclopentyl-5-hydroxyhexanenitrile (PubChem CID 18433865) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-cyclopentyl-5-hydroxyhexanenitrile.

Molecular Properties

Compound Name5-cyclopentyl-5-hydroxyhexanenitrile
PubChem CID18433865
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-cyclopentyl-5-hydroxyhexanenitrile
SMILESCC(O)(CCCC#N)C1CCCC1
InChIInChI=1S/C11H19NO/c1-11(13,8-4-5-9-12)10-6-2-3-7-10/h10,13H,2-8H2,1H3
InChIKeyAJMGTRVUGVDVBN-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-5-hydroxyhexanenitrile?
The IUPAC name of 5-cyclopentyl-5-hydroxyhexanenitrile (CID 18433865) is 5-cyclopentyl-5-hydroxyhexanenitrile.
What is the SMILES notation for 5-cyclopentyl-5-hydroxyhexanenitrile?
The canonical SMILES for 5-cyclopentyl-5-hydroxyhexanenitrile is CC(O)(CCCC#N)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-5-hydroxyhexanenitrile?
The InChIKey is AJMGTRVUGVDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(13,8-4-5-9-12)10-6-2-3-7-10/h10,13H,2-8H2,1H3.
What are the key properties of 5-cyclopentyl-5-hydroxyhexanenitrile?
5-cyclopentyl-5-hydroxyhexanenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-5-hydroxyhexanenitrile is sourced from PubChem (CID 18433865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).