3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one

C14H18N2O4 — CID 81204319

IUPAC3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one
SMILESCC1COC(CO)CN1c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C14H18N2O4/c1-8-7-20-10(6-17)5-16(8)9-2-3-11-12(4-9)15-14(19)13(11)18/h2-4,8,10,13,17-18H,5-7H2,1H3,(H,15,19)
InChIKeyVDJLIECRPNZHIB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.26
Rot. Bonds2

About 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one

3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 81204319) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one
PubChem CID81204319
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one
SMILESCC1COC(CO)CN1c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C14H18N2O4/c1-8-7-20-10(6-17)5-16(8)9-2-3-11-12(4-9)15-14(19)13(11)18/h2-4,8,10,13,17-18H,5-7H2,1H3,(H,15,19)
InChIKeyVDJLIECRPNZHIB-UHFFFAOYSA-N
XLogP0.26
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one (CID 81204319) is 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one is CC1COC(CO)CN1c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is VDJLIECRPNZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-7-20-10(6-17)5-16(8)9-2-3-11-12(4-9)15-14(19)13(11)18/h2-4,8,10,13,17-18H,5-7H2,1H3,(H,15,19).
What are the key properties of 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one?
3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 81204319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).