6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one

C10H17NO4 — CID 115103002

IUPAC6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
SMILESO=C1COC(CO)CN1C1CCCCO1
InChIInChI=1S/C10H17NO4/c12-6-8-5-11(9(13)7-15-8)10-3-1-2-4-14-10/h8,10,12H,1-7H2
InChIKeyJVTSQBLWDLTGTM-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.27
Rot. Bonds2

About 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one

6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one (PubChem CID 115103002) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
PubChem CID115103002
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one
SMILESO=C1COC(CO)CN1C1CCCCO1
InChIInChI=1S/C10H17NO4/c12-6-8-5-11(9(13)7-15-8)10-3-1-2-4-14-10/h8,10,12H,1-7H2
InChIKeyJVTSQBLWDLTGTM-UHFFFAOYSA-N
XLogP-0.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one?
The IUPAC name of 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one (CID 115103002) is 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one is O=C1COC(CO)CN1C1CCCCO1.
What is the InChIKey of 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one?
The InChIKey is JVTSQBLWDLTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c12-6-8-5-11(9(13)7-15-8)10-3-1-2-4-14-10/h8,10,12H,1-7H2.
What are the key properties of 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one?
6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one has a molecular weight of 215.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-(oxan-2-yl)morpholin-3-one is sourced from PubChem (CID 115103002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).