3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one

C13H16N2O3 — CID 62974329

IUPAC3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCOCC3)ccc2C1O
InChIInChI=1S/C13H16N2O3/c16-12-10-3-2-9(8-11(10)14-13(12)17)15-4-1-6-18-7-5-15/h2-3,8,12,16H,1,4-7H2,(H,14,17)
InChIKeyAXCYKVISPUERQF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.90
Rot. Bonds1

About 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one

3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one (PubChem CID 62974329) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
PubChem CID62974329
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCOCC3)ccc2C1O
InChIInChI=1S/C13H16N2O3/c16-12-10-3-2-9(8-11(10)14-13(12)17)15-4-1-6-18-7-5-15/h2-3,8,12,16H,1,4-7H2,(H,14,17)
InChIKeyAXCYKVISPUERQF-UHFFFAOYSA-N
XLogP0.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(azocan-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 43586661
3-hydroxy-6-(5-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 63004308
3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 43586643
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-bromo-4-(1,4-oxazepan-4-yl)benzoic acid
CID 107282034
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
3-hydroxy-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
CID 79929641
4-(1,4-oxazepan-4-yl)benzenecarbothioamide
CID 62974018
3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43586561
5-morpholin-4-yl-1H-indole-2,3-dione
CID 16781550

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one (CID 62974329) is 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CCCOCC3)ccc2C1O.
What is the InChIKey of 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is AXCYKVISPUERQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-10-3-2-9(8-11(10)14-13(12)17)15-4-1-6-18-7-5-15/h2-3,8,12,16H,1,4-7H2,(H,14,17).
What are the key properties of 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62974329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).