2-(4-hydroxymorpholin-3-yl)indene-1,3-dione

C13H13NO4 — CID 53261676

IUPAC2-(4-hydroxymorpholin-3-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1COCCN1O
InChIInChI=1S/C13H13NO4/c15-12-8-3-1-2-4-9(8)13(16)11(12)10-7-18-6-5-14(10)17/h1-4,10-11,17H,5-7H2
InChIKeyKVBDUSVEZZPMCY-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.77
Rot. Bonds1

About 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione

2-(4-hydroxymorpholin-3-yl)indene-1,3-dione (PubChem CID 53261676) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxymorpholin-3-yl)indene-1,3-dione
PubChem CID53261676
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(4-hydroxymorpholin-3-yl)indene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1C1COCCN1O
InChIInChI=1S/C13H13NO4/c15-12-8-3-1-2-4-9(8)13(16)11(12)10-7-18-6-5-14(10)17/h1-4,10-11,17H,5-7H2
InChIKeyKVBDUSVEZZPMCY-UHFFFAOYSA-N
XLogP0.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylisoindole-1,3-dione
CID 57312191
3-(1,3-dioxoisoindol-2-yl)oxycarbonylmorpholine-4-carboxylic acid
CID 172771567
2-hydroxyindene-1,3-dione
CID 10219583
3-(9H-fluoren-9-yl)oxolane
CID 102547285
2-[(4-oxooxan-3-yl)methyl]isoindole-1,3-dione
CID 82277834
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(oxolan-3-yl)methanone
CID 77033492
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 98085181
(1S,3S,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 92537111
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
(3S,8aR)-1,3-diphenyl-5,6,8,8a-tetrahydro-3H-imidazo[2,1-c][1,4]oxazin-2-one
CID 162399829
2-phenyl-3-sulfanylidene-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazin-1-one
CID 110189709

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione?
The IUPAC name of 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione (CID 53261676) is 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione.
What is the SMILES notation for 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione?
The canonical SMILES for 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione is O=C1c2ccccc2C(=O)C1C1COCCN1O.
What is the InChIKey of 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione?
The InChIKey is KVBDUSVEZZPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-12-8-3-1-2-4-9(8)13(16)11(12)10-7-18-6-5-14(10)17/h1-4,10-11,17H,5-7H2.
What are the key properties of 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione?
2-(4-hydroxymorpholin-3-yl)indene-1,3-dione has a molecular weight of 247.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxymorpholin-3-yl)indene-1,3-dione is sourced from PubChem (CID 53261676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).