2-(morpholin-4-ylmethyl)-4-oxohexanenitrile

C11H18N2O2 — CID 168654944

IUPAC2-(morpholin-4-ylmethyl)-4-oxohexanenitrile
SMILESCCC(=O)CC(C#N)CN1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-11(14)7-10(8-12)9-13-3-5-15-6-4-13/h10H,2-7,9H2,1H3
InChIKeyBWGOJAWNSJECAX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds5

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

2-(morpholin-4-ylmethyl)-4-oxohexanenitrile (PubChem CID 168654944) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-4-oxohexanenitrile
PubChem CID168654944
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(morpholin-4-ylmethyl)-4-oxohexanenitrile
SMILESCCC(=O)CC(C#N)CN1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-11(14)7-10(8-12)9-13-3-5-15-6-4-13/h10H,2-7,9H2,1H3
InChIKeyBWGOJAWNSJECAX-UHFFFAOYSA-N
XLogP0.83
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-morpholino-pentane-2-one
CID 129771205
2-(Morpholinomethyl)-4-oxopentanenitrile
CID 168654931
2-Methyl-6-(morpholin-4-yl)hexan-3-one
CID 58274612
2,2-Dimethyl-6-morpholin-4-ylhexan-3-one
CID 70846877
6-Methyl-1-morpholin-4-ylheptan-4-one
CID 80434984
3-[1-(2-Morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile
CID 122509096
1-[1-(2-Methoxyethyl)piperidin-4-yl]propan-1-one
CID 140969049
Ethane;3-methyl-5-morpholin-4-ylpentan-2-one
CID 144069282
4-Methyl-1-morpholin-4-ylhexan-3-one
CID 162432355
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
1-[1-(2-Methoxyethyl)-1-methylpiperidin-1-ium-4-yl]-2-methylpropan-1-one
CID 168139974
2-Methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-1-one
CID 169316900

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile?
The IUPAC name of 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile (CID 168654944) is 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile is CCC(=O)CC(C#N)CN1CCOCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile?
The InChIKey is BWGOJAWNSJECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-11(14)7-10(8-12)9-13-3-5-15-6-4-13/h10H,2-7,9H2,1H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-4-oxohexanenitrile?
2-(morpholin-4-ylmethyl)-4-oxohexanenitrile has a molecular weight of 210.28 g/mol, XLogP of 0.83, 5 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-oxohexanenitrile is sourced from PubChem (CID 168654944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).