morpholine;nitroxyl

C4H10N2O2 — CID 160677899

IUPACmorpholine;nitroxyl
SMILESC1COCCN1.N=O
InChIInChI=1S/C4H9NO.HNO/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;1H
InChIKeyWVHILRDJZZEBBF-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.06
Rot. Bonds

About morpholine;nitroxyl

morpholine;nitroxyl (PubChem CID 160677899) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is morpholine;nitroxyl.

Molecular Properties

Compound Namemorpholine;nitroxyl
PubChem CID160677899
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Namemorpholine;nitroxyl
SMILESC1COCCN1.N=O
InChIInChI=1S/C4H9NO.HNO/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;1H
InChIKeyWVHILRDJZZEBBF-UHFFFAOYSA-N
XLogP-0.06
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87713044
1,4,7-trioxa-10-azacyclododecane
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morpholine;sulfane
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1,4,7,10-tetraoxa-13,16,19-triazacyclohenicosane
CID 10063702
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CID 91516807
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CID 11313835
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CID 173330219
ethene;morpholine
CID 161116675

Frequently Asked Questions

What is the IUPAC name of morpholine;nitroxyl?
The IUPAC name of morpholine;nitroxyl (CID 160677899) is morpholine;nitroxyl.
What is the SMILES notation for morpholine;nitroxyl?
The canonical SMILES for morpholine;nitroxyl is C1COCCN1.N=O.
What is the InChIKey of morpholine;nitroxyl?
The InChIKey is WVHILRDJZZEBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.HNO/c1-3-6-4-2-5-1;1-2/h5H,1-4H2;1H.
What are the key properties of morpholine;nitroxyl?
morpholine;nitroxyl has a molecular weight of 118.14 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;nitroxyl is sourced from PubChem (CID 160677899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).