5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one

C11H11NO3 — CID 116872972

IUPAC5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3(O)COC3)ccc2N1
InChIInChI=1S/C11H11NO3/c13-10-4-7-3-8(1-2-9(7)12-10)11(14)5-15-6-11/h1-3,14H,4-6H2,(H,12,13)
InChIKeyNMTHNMJQVJBWHU-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.40
Rot. Bonds1

About 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one

5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one (PubChem CID 116872972) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
PubChem CID116872972
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C3(O)COC3)ccc2N1
InChIInChI=1S/C11H11NO3/c13-10-4-7-3-8(1-2-9(7)12-10)11(14)5-15-6-11/h1-3,14H,4-6H2,(H,12,13)
InChIKeyNMTHNMJQVJBWHU-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
CID 141283388
5-[3-(2-sulfanylethyl)oxetan-3-yl]-1,3-dihydroindol-2-one
CID 116872550
methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
CID 116873514
methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate
CID 116873450
6-(1-hydroxycyclopropyl)-1,3-dihydroindol-2-one
CID 117281439
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
CID 116826431
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one (CID 116872972) is 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C3(O)COC3)ccc2N1.
What is the InChIKey of 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is NMTHNMJQVJBWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-4-7-3-8(1-2-9(7)12-10)11(14)5-15-6-11/h1-3,14H,4-6H2,(H,12,13).
What are the key properties of 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one?
5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 205.21 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116872972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).