2-(morpholin-4-ylmethyl)pentanenitrile

C10H18N2O — CID 21406124

IUPAC2-(morpholin-4-ylmethyl)pentanenitrile
SMILESCCCC(C#N)CN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-3-10(8-11)9-12-4-6-13-7-5-12/h10H,2-7,9H2,1H3
InChIKeyWFOYNKMLTVWYTE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)pentanenitrile

2-(morpholin-4-ylmethyl)pentanenitrile (PubChem CID 21406124) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pentanenitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pentanenitrile
PubChem CID21406124
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(morpholin-4-ylmethyl)pentanenitrile
SMILESCCCC(C#N)CN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-3-10(8-11)9-12-4-6-13-7-5-12/h10H,2-7,9H2,1H3
InChIKeyWFOYNKMLTVWYTE-UHFFFAOYSA-N
XLogP1.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pentanenitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)pentanenitrile (CID 21406124) is 2-(morpholin-4-ylmethyl)pentanenitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pentanenitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pentanenitrile is CCCC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pentanenitrile?
The InChIKey is WFOYNKMLTVWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-10(8-11)9-12-4-6-13-7-5-12/h10H,2-7,9H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)pentanenitrile?
2-(morpholin-4-ylmethyl)pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pentanenitrile is sourced from PubChem (CID 21406124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).