morpholin-4-yl nitrite

C4H8N2O3 — CID 57324165

IUPACmorpholin-4-yl nitrite
SMILESO=NON1CCOCC1
InChIInChI=1S/C4H8N2O3/c7-5-9-6-1-3-8-4-2-6/h1-4H2
InChIKeyNTQXNKJVYDQGGM-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.07
Rot. Bonds2

About morpholin-4-yl nitrite

morpholin-4-yl nitrite (PubChem CID 57324165) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is morpholin-4-yl nitrite.

Molecular Properties

Compound Namemorpholin-4-yl nitrite
PubChem CID57324165
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Namemorpholin-4-yl nitrite
SMILESO=NON1CCOCC1
InChIInChI=1S/C4H8N2O3/c7-5-9-6-1-3-8-4-2-6/h1-4H2
InChIKeyNTQXNKJVYDQGGM-UHFFFAOYSA-N
XLogP-0.07
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
trimorpholin-4-yl borate
CID 57215155
morpholin-4-yl dihydrogen phosphate
CID 57078331
4-(trioxidanyl)morpholine
CID 58031133
4-[amino(chloro)phosphoryl]oxymorpholine
CID 126510145
morpholin-4-yloxycarbonylcarbamodithioic acid
CID 175282224
morpholin-4-yl N-morpholin-4-ylcarbamate
CID 57465870
tris(morpholin-4-ylamino) phosphate
CID 141286204
4-methyl-3-nitrosomorpholine
CID 141260498
4-morpholin-4-yloxybenzoic acid
CID 118058764
morpholin-4-ylphosphonous acid
CID 45122822
carbonic acid;4-morpholin-4-ylmorpholine
CID 174547953

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl nitrite?
The IUPAC name of morpholin-4-yl nitrite (CID 57324165) is morpholin-4-yl nitrite.
What is the SMILES notation for morpholin-4-yl nitrite?
The canonical SMILES for morpholin-4-yl nitrite is O=NON1CCOCC1.
What is the InChIKey of morpholin-4-yl nitrite?
The InChIKey is NTQXNKJVYDQGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c7-5-9-6-1-3-8-4-2-6/h1-4H2.
What are the key properties of morpholin-4-yl nitrite?
morpholin-4-yl nitrite has a molecular weight of 132.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl nitrite is sourced from PubChem (CID 57324165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).