4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile

C11H18N2O2 — CID 103134228

IUPAC4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
SMILESCC1CCC(CN2CCOC(C#N)C2)O1
InChIInChI=1S/C11H18N2O2/c1-9-2-3-10(15-9)7-13-4-5-14-11(6-12)8-13/h9-11H,2-5,7-8H2,1H3
InChIKeyKUXVQWLAINCMOO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.78
Rot. Bonds2

About 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile

4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile (PubChem CID 103134228) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
PubChem CID103134228
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
SMILESCC1CCC(CN2CCOC(C#N)C2)O1
InChIInChI=1S/C11H18N2O2/c1-9-2-3-10(15-9)7-13-4-5-14-11(6-12)8-13/h9-11H,2-5,7-8H2,1H3
InChIKeyKUXVQWLAINCMOO-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-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
(3S)-1-[(5-methyloxolan-2-yl)methyl]piperidin-3-ol
CID 107225929
4-bromo-3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103140046
2-[4-[(5-methyloxolan-2-yl)methyl]piperazin-1-yl]propanenitrile
CID 103134211
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
1-[(5-methyloxolan-2-yl)methyl]piperazine-2-carbonitrile
CID 103136172
4-(2-oxobutyl)morpholine-2-carbonitrile
CID 79675265
1-[(5-methyloxolan-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 103136020

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile (CID 103134228) is 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile is CC1CCC(CN2CCOC(C#N)C2)O1.
What is the InChIKey of 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile?
The InChIKey is KUXVQWLAINCMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-2-3-10(15-9)7-13-4-5-14-11(6-12)8-13/h9-11H,2-5,7-8H2,1H3.
What are the key properties of 4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile?
4-[(5-methyloxolan-2-yl)methyl]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-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 103134228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).