2-(azetidin-3-yloxy)-3H-isoindol-1-one

C11H12N2O2 — CID 175803051

IUPAC2-(azetidin-3-yloxy)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1OC1CNC1
InChIInChI=1S/C11H12N2O2/c14-11-10-4-2-1-3-8(10)7-13(11)15-9-5-12-6-9/h1-4,9,12H,5-7H2
InChIKeyUVPPELKONJYRDS-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.55
Rot. Bonds2

About 2-(azetidin-3-yloxy)-3H-isoindol-1-one

2-(azetidin-3-yloxy)-3H-isoindol-1-one (PubChem CID 175803051) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-3H-isoindol-1-one
PubChem CID175803051
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(azetidin-3-yloxy)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1OC1CNC1
InChIInChI=1S/C11H12N2O2/c14-11-10-4-2-1-3-8(10)7-13(11)15-9-5-12-6-9/h1-4,9,12H,5-7H2
InChIKeyUVPPELKONJYRDS-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycyclohexyl)oxy-3H-isoindol-1-one
CID 151166905
2-propan-2-yloxy-3H-isoindol-1-one
CID 89303277
2-stannyl-3H-isoindol-1-one
CID 151195244
2-bromo-3H-isoindol-1-one
CID 86611253
2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
CID 137389821
2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
CID 175936007
2-(piperazine-2-carbonyl)-3H-isoindol-1-one
CID 174880189
2-(4-methylpyrrolidin-3-yl)isoindole-1,3-dione
CID 58030165
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
[4-(3-oxo-1H-isoindol-2-yl)cyclohexyl] methanesulfonate
CID 10518947
2-[(5-methoxypiperidin-3-yl)methyl]isoindole-1,3-dione
CID 68991149
2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
CID 11172771

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-3H-isoindol-1-one?
The IUPAC name of 2-(azetidin-3-yloxy)-3H-isoindol-1-one (CID 175803051) is 2-(azetidin-3-yloxy)-3H-isoindol-1-one.
What is the SMILES notation for 2-(azetidin-3-yloxy)-3H-isoindol-1-one?
The canonical SMILES for 2-(azetidin-3-yloxy)-3H-isoindol-1-one is O=C1c2ccccc2CN1OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)-3H-isoindol-1-one?
The InChIKey is UVPPELKONJYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11-10-4-2-1-3-8(10)7-13(11)15-9-5-12-6-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-(azetidin-3-yloxy)-3H-isoindol-1-one?
2-(azetidin-3-yloxy)-3H-isoindol-1-one has a molecular weight of 204.23 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-3H-isoindol-1-one is sourced from PubChem (CID 175803051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).