2-(morpholin-4-ylmethyl)-4-oxopentanenitrile

C10H16N2O2 — CID 168654931

IUPAC2-(morpholin-4-ylmethyl)-4-oxopentanenitrile
SMILESCC(=O)CC(C#N)CN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-9(13)6-10(7-11)8-12-2-4-14-5-3-12/h10H,2-6,8H2,1H3
InChIKeyMXIOLGUPUOWSGY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.44
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile

2-(morpholin-4-ylmethyl)-4-oxopentanenitrile (PubChem CID 168654931) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-oxopentanenitrile
PubChem CID168654931
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(morpholin-4-ylmethyl)-4-oxopentanenitrile
SMILESCC(=O)CC(C#N)CN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-9(13)6-10(7-11)8-12-2-4-14-5-3-12/h10H,2-6,8H2,1H3
InChIKeyMXIOLGUPUOWSGY-UHFFFAOYSA-N
XLogP0.44
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethoxyethyl)-3-methylpiperidin-4-one
CID 3066146
4-Methyl-5-morpholino-pentane-2-one
CID 129771205
2-(Morpholinomethyl)-4-oxohexanenitrile
CID 168654944
4-Methyl-1-morpholin-4-ylpentan-2-one
CID 12595887
2-Methyl-1-morpholin-4-ylpentan-3-one
CID 15642573
2-(Morpholin-4-ylmethyl)pentanenitrile
CID 21406124
2-Piperidin-1-ylethyl 2-cyano-3-oxobutanoate
CID 53777607
4-Methyl-1-morpholin-4-ylpentan-3-one
CID 57617488
1-[1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone
CID 58171876
2-Methyl-6-(morpholin-4-yl)hexan-3-one
CID 58274612
1-[1-(2-Methoxyethyl)piperidin-4-yl]ethanone
CID 58356103
1-[1-(2-Propan-2-yloxyethyl)piperidin-4-yl]ethanone
CID 63847060

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile (CID 168654931) is 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile is CC(=O)CC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile?
The InChIKey is MXIOLGUPUOWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9(13)6-10(7-11)8-12-2-4-14-5-3-12/h10H,2-6,8H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile?
2-(morpholin-4-ylmethyl)-4-oxopentanenitrile has a molecular weight of 196.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-4-oxopentanenitrile is sourced from PubChem (CID 168654931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).