(2E)-2-morpholin-2-yliminoacetonitrile

C6H9N3O — CID 21195236

IUPAC(2E)-2-morpholin-2-yliminoacetonitrile
SMILESN#C/C=N/C1CNCCO1
InChIInChI=1S/C6H9N3O/c7-1-2-9-6-5-8-3-4-10-6/h2,6,8H,3-5H2/b9-2+
InChIKeyFKVFEMHRQURUEK-XNWCZRBMSA-N
MW139.16 g/mol
LogP-0.47
Rot. Bonds1

About (2E)-2-morpholin-2-yliminoacetonitrile

(2E)-2-morpholin-2-yliminoacetonitrile (PubChem CID 21195236) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (2E)-2-morpholin-2-yliminoacetonitrile.

Molecular Properties

Compound Name(2E)-2-morpholin-2-yliminoacetonitrile
PubChem CID21195236
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(2E)-2-morpholin-2-yliminoacetonitrile
SMILESN#C/C=N/C1CNCCO1
InChIInChI=1S/C6H9N3O/c7-1-2-9-6-5-8-3-4-10-6/h2,6,8H,3-5H2/b9-2+
InChIKeyFKVFEMHRQURUEK-XNWCZRBMSA-N
XLogP-0.47
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-morpholine-2-carbonitrile;hydrochloride
CID 121225951
(2S)-2-[(2S)-oxetan-2-yl]morpholine
CID 86311966
morpholin-2-yl formate
CID 91405229
CID 162446410
CID 162446410
morpholine-2-thiol
CID 20573956
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
2-(morpholin-2-yldisulfanyl)morpholine
CID 22625305
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-iodomorpholine;hydroiodide
CID 66958144
N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66433370
2-bromomorpholine;propanal
CID 174656620

Frequently Asked Questions

What is the IUPAC name of (2E)-2-morpholin-2-yliminoacetonitrile?
The IUPAC name of (2E)-2-morpholin-2-yliminoacetonitrile (CID 21195236) is (2E)-2-morpholin-2-yliminoacetonitrile.
What is the SMILES notation for (2E)-2-morpholin-2-yliminoacetonitrile?
The canonical SMILES for (2E)-2-morpholin-2-yliminoacetonitrile is N#C/C=N/C1CNCCO1.
What is the InChIKey of (2E)-2-morpholin-2-yliminoacetonitrile?
The InChIKey is FKVFEMHRQURUEK-XNWCZRBMSA-N. The full InChI is InChI=1S/C6H9N3O/c7-1-2-9-6-5-8-3-4-10-6/h2,6,8H,3-5H2/b9-2+.
What are the key properties of (2E)-2-morpholin-2-yliminoacetonitrile?
(2E)-2-morpholin-2-yliminoacetonitrile has a molecular weight of 139.16 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-morpholin-2-yliminoacetonitrile is sourced from PubChem (CID 21195236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).