3-prop-2-enoxymorpholin-2-ol

C7H13NO3 — CID 175272621

IUPAC3-prop-2-enoxymorpholin-2-ol
SMILESC=CCOC1NCCOC1O
InChIInChI=1S/C7H13NO3/c1-2-4-10-6-7(9)11-5-3-8-6/h2,6-9H,1,3-5H2
InChIKeyLUJBVEPLHKLATE-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.55
Rot. Bonds3

About 3-prop-2-enoxymorpholin-2-ol

3-prop-2-enoxymorpholin-2-ol (PubChem CID 175272621) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-prop-2-enoxymorpholin-2-ol.

Molecular Properties

Compound Name3-prop-2-enoxymorpholin-2-ol
PubChem CID175272621
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-prop-2-enoxymorpholin-2-ol
SMILESC=CCOC1NCCOC1O
InChIInChI=1S/C7H13NO3/c1-2-4-10-6-7(9)11-5-3-8-6/h2,6-9H,1,3-5H2
InChIKeyLUJBVEPLHKLATE-UHFFFAOYSA-N
XLogP-0.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxymorpholin-2-ol?
The IUPAC name of 3-prop-2-enoxymorpholin-2-ol (CID 175272621) is 3-prop-2-enoxymorpholin-2-ol.
What is the SMILES notation for 3-prop-2-enoxymorpholin-2-ol?
The canonical SMILES for 3-prop-2-enoxymorpholin-2-ol is C=CCOC1NCCOC1O.
What is the InChIKey of 3-prop-2-enoxymorpholin-2-ol?
The InChIKey is LUJBVEPLHKLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-4-10-6-7(9)11-5-3-8-6/h2,6-9H,1,3-5H2.
What are the key properties of 3-prop-2-enoxymorpholin-2-ol?
3-prop-2-enoxymorpholin-2-ol has a molecular weight of 159.18 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxymorpholin-2-ol is sourced from PubChem (CID 175272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).