2-morpholin-4-ylpentanenitrile

C9H16N2O — CID 19064099

IUPAC2-morpholin-4-ylpentanenitrile
SMILESCCCC(C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-7H2,1H3
InChIKeyXBMKRFMQDGHEIC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds3

About 2-morpholin-4-ylpentanenitrile

2-morpholin-4-ylpentanenitrile (PubChem CID 19064099) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-morpholin-4-ylpentanenitrile.

Molecular Properties

Compound Name2-morpholin-4-ylpentanenitrile
PubChem CID19064099
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-morpholin-4-ylpentanenitrile
SMILESCCCC(C#N)N1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-7H2,1H3
InChIKeyXBMKRFMQDGHEIC-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpentanenitrile?
The IUPAC name of 2-morpholin-4-ylpentanenitrile (CID 19064099) is 2-morpholin-4-ylpentanenitrile.
What is the SMILES notation for 2-morpholin-4-ylpentanenitrile?
The canonical SMILES for 2-morpholin-4-ylpentanenitrile is CCCC(C#N)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpentanenitrile?
The InChIKey is XBMKRFMQDGHEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-9(8-10)11-4-6-12-7-5-11/h9H,2-7H2,1H3.
What are the key properties of 2-morpholin-4-ylpentanenitrile?
2-morpholin-4-ylpentanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpentanenitrile is sourced from PubChem (CID 19064099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).