2-[(3R)-morpholin-3-yl]acetonitrile

C6H10N2O — CID 68848037

IUPAC2-[(3R)-morpholin-3-yl]acetonitrile
SMILESN#CC[C@@H]1COCCN1
InChIInChI=1S/C6H10N2O/c7-2-1-6-5-9-4-3-8-6/h6,8H,1,3-5H2/t6-/m1/s1
InChIKeyHXPSIQWMYVOWSO-ZCFIWIBFSA-N
MW126.16 g/mol
LogP-0.11
Rot. Bonds1

About 2-[(3R)-morpholin-3-yl]acetonitrile

2-[(3R)-morpholin-3-yl]acetonitrile (PubChem CID 68848037) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-[(3R)-morpholin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R)-morpholin-3-yl]acetonitrile
PubChem CID68848037
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-[(3R)-morpholin-3-yl]acetonitrile
SMILESN#CC[C@@H]1COCCN1
InChIInChI=1S/C6H10N2O/c7-2-1-6-5-9-4-3-8-6/h6,8H,1,3-5H2/t6-/m1/s1
InChIKeyHXPSIQWMYVOWSO-ZCFIWIBFSA-N
XLogP-0.11
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-morpholin-3-yl]acetonitrile?
The IUPAC name of 2-[(3R)-morpholin-3-yl]acetonitrile (CID 68848037) is 2-[(3R)-morpholin-3-yl]acetonitrile.
What is the SMILES notation for 2-[(3R)-morpholin-3-yl]acetonitrile?
The canonical SMILES for 2-[(3R)-morpholin-3-yl]acetonitrile is N#CC[C@@H]1COCCN1.
What is the InChIKey of 2-[(3R)-morpholin-3-yl]acetonitrile?
The InChIKey is HXPSIQWMYVOWSO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10N2O/c7-2-1-6-5-9-4-3-8-6/h6,8H,1,3-5H2/t6-/m1/s1.
What are the key properties of 2-[(3R)-morpholin-3-yl]acetonitrile?
2-[(3R)-morpholin-3-yl]acetonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-morpholin-3-yl]acetonitrile is sourced from PubChem (CID 68848037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).