5-(oxolan-2-yl)pentanenitrile

C9H15NO — CID 65166360

IUPAC5-(oxolan-2-yl)pentanenitrile
SMILESN#CCCCCC1CCCO1
InChIInChI=1S/C9H15NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-6,8H2
InChIKeyWWFVSPNPDBQPJD-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds4

About 5-(oxolan-2-yl)pentanenitrile

5-(oxolan-2-yl)pentanenitrile (PubChem CID 65166360) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-(oxolan-2-yl)pentanenitrile.

Molecular Properties

Compound Name5-(oxolan-2-yl)pentanenitrile
PubChem CID65166360
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-(oxolan-2-yl)pentanenitrile
SMILESN#CCCCCC1CCCO1
InChIInChI=1S/C9H15NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-6,8H2
InChIKeyWWFVSPNPDBQPJD-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-(oxolan-2-yl)pentanenitrile?
The IUPAC name of 5-(oxolan-2-yl)pentanenitrile (CID 65166360) is 5-(oxolan-2-yl)pentanenitrile.
What is the SMILES notation for 5-(oxolan-2-yl)pentanenitrile?
The canonical SMILES for 5-(oxolan-2-yl)pentanenitrile is N#CCCCCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-yl)pentanenitrile?
The InChIKey is WWFVSPNPDBQPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-3-1-2-5-9-6-4-8-11-9/h9H,1-6,8H2.
What are the key properties of 5-(oxolan-2-yl)pentanenitrile?
5-(oxolan-2-yl)pentanenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)pentanenitrile is sourced from PubChem (CID 65166360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).