morpholine-2,2-diol

C4H9NO3 — CID 54489838

IUPACmorpholine-2,2-diol
SMILESOC1(O)CNCCO1
InChIInChI=1S/C4H9NO3/c6-4(7)3-5-1-2-8-4/h5-7H,1-3H2
InChIKeyMNUQQLRNWQICQI-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.76
Rot. Bonds

About morpholine-2,2-diol

morpholine-2,2-diol (PubChem CID 54489838) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is morpholine-2,2-diol.

Molecular Properties

Compound Namemorpholine-2,2-diol
PubChem CID54489838
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Namemorpholine-2,2-diol
SMILESOC1(O)CNCCO1
InChIInChI=1S/C4H9NO3/c6-4(7)3-5-1-2-8-4/h5-7H,1-3H2
InChIKeyMNUQQLRNWQICQI-UHFFFAOYSA-N
XLogP-1.76
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine-2,2-diol?
The IUPAC name of morpholine-2,2-diol (CID 54489838) is morpholine-2,2-diol.
What is the SMILES notation for morpholine-2,2-diol?
The canonical SMILES for morpholine-2,2-diol is OC1(O)CNCCO1.
What is the InChIKey of morpholine-2,2-diol?
The InChIKey is MNUQQLRNWQICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c6-4(7)3-5-1-2-8-4/h5-7H,1-3H2.
What are the key properties of morpholine-2,2-diol?
morpholine-2,2-diol has a molecular weight of 119.12 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2,2-diol is sourced from PubChem (CID 54489838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).