4-(oxan-2-ylmethyl)morpholine-2-carbonitrile

C11H18N2O2 — CID 112734106

IUPAC4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC2CCCCO2)CCO1
InChIInChI=1S/C11H18N2O2/c12-7-11-9-13(4-6-15-11)8-10-3-1-2-5-14-10/h10-11H,1-6,8-9H2
InChIKeyFLRSZDVHZFGISX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.78
Rot. Bonds2

About 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile

4-(oxan-2-ylmethyl)morpholine-2-carbonitrile (PubChem CID 112734106) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
PubChem CID112734106
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC2CCCCO2)CCO1
InChIInChI=1S/C11H18N2O2/c12-7-11-9-13(4-6-15-11)8-10-3-1-2-5-14-10/h10-11H,1-6,8-9H2
InChIKeyFLRSZDVHZFGISX-UHFFFAOYSA-N
XLogP0.78
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
CID 103134228
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
CID 107225728
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pentanenitrile
CID 63339441
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
1-(oxan-2-ylmethyl)piperazine
CID 14981447
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
oxacyclohexadecane-2-carbonitrile
CID 10777153
N-methyl-1-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62512958
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile (CID 112734106) is 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile is N#CC1CN(CC2CCCCO2)CCO1.
What is the InChIKey of 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile?
The InChIKey is FLRSZDVHZFGISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-7-11-9-13(4-6-15-11)8-10-3-1-2-5-14-10/h10-11H,1-6,8-9H2.
What are the key properties of 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile?
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 112734106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).