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

C11H12N2O2 — CID 116872639

IUPAC5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
SMILESNC1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C11H12N2O2/c12-11(5-15-6-11)8-1-2-9-7(3-8)4-10(14)13-9/h1-3H,4-6,12H2,(H,13,14)
InChIKeyGVJXNIYIGOPQGM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.37
Rot. Bonds1

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

5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one (PubChem CID 116872639) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
PubChem CID116872639
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
SMILESNC1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C11H12N2O2/c12-11(5-15-6-11)8-1-2-9-7(3-8)4-10(14)13-9/h1-3H,4-6,12H2,(H,13,14)
InChIKeyGVJXNIYIGOPQGM-UHFFFAOYSA-N
XLogP0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
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
5-[1-(aminomethyl)cyclohexyl]-1,3-dihydroindol-2-one
CID 82497597
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
CID 141283388
3-[amino-(2-oxo-1,3-dihydroindol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944483
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
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
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
2-(2-oxo-1,3-dihydroindol-5-yl)acetaldehyde
CID 116927299

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one (CID 116872639) is 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one is NC1(c2ccc3c(c2)CC(=O)N3)COC1.
What is the InChIKey of 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is GVJXNIYIGOPQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-11(5-15-6-11)8-1-2-9-7(3-8)4-10(14)13-9/h1-3H,4-6,12H2,(H,13,14).
What are the key properties of 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one?
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116872639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).