5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione

C11H11NO4 — CID 21335894

IUPAC5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione
SMILESO=C1NC(Cc2ccc(O)cc2)COC1=O
InChIInChI=1S/C11H11NO4/c13-9-3-1-7(2-4-9)5-8-6-16-11(15)10(14)12-8/h1-4,8,13H,5-6H2,(H,12,14)
InChIKeyTVQKCRIOGXZJLY-UHFFFAOYSA-N
MW221.21 g/mol
LogP-0.02
Rot. Bonds2

About 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione

5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione (PubChem CID 21335894) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione
PubChem CID21335894
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione
SMILESO=C1NC(Cc2ccc(O)cc2)COC1=O
InChIInChI=1S/C11H11NO4/c13-9-3-1-7(2-4-9)5-8-6-16-11(15)10(14)12-8/h1-4,8,13H,5-6H2,(H,12,14)
InChIKeyTVQKCRIOGXZJLY-UHFFFAOYSA-N
XLogP-0.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S,15R)-5,15-dibenzyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 21457258
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
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4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
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(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
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(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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4-[[(2R,5R)-5-benzylpiperazin-2-yl]methyl]phenol
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(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
4-[[4-[(4-hydroxyphenyl)methyl]cyclohexyl]methyl]phenol
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3-[(4-hydroxyphenyl)methyl]oxepan-2-one
CID 67500660

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione (CID 21335894) is 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione is O=C1NC(Cc2ccc(O)cc2)COC1=O.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione?
The InChIKey is TVQKCRIOGXZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-3-1-7(2-4-9)5-8-6-16-11(15)10(14)12-8/h1-4,8,13H,5-6H2,(H,12,14).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione?
5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione has a molecular weight of 221.21 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]morpholine-2,3-dione is sourced from PubChem (CID 21335894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).