2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one

C14H17NO3 — CID 142724203

IUPAC2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one
SMILESCOC1c2ccccc2C(=O)N1OC1CCCC1
InChIInChI=1S/C14H17NO3/c1-17-14-12-9-5-4-8-11(12)13(16)15(14)18-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyJIKVUSCOXUHBAR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.66
Rot. Bonds3

About 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one

2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one (PubChem CID 142724203) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one
PubChem CID142724203
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one
SMILESCOC1c2ccccc2C(=O)N1OC1CCCC1
InChIInChI=1S/C14H17NO3/c1-17-14-12-9-5-4-8-11(12)13(16)15(14)18-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyJIKVUSCOXUHBAR-UHFFFAOYSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-cyclododecyl-3-methoxy-3H-isoindol-1-one
CID 7312861
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 41121461
3-hydroxy-2-methoxy-3H-isoindol-1-one
CID 123451944
(3R)-3-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CID 28685808
(3R)-3-methoxy-2-(3-methylbutyl)-3H-isoindol-1-one
CID 28648875
(3R)-3-methoxy-2-[(2S)-4-phenylbutan-2-yl]-3H-isoindol-1-one
CID 28685732
(3S)-2-[2-(4-chlorophenyl)ethyl]-3-methoxy-3H-isoindol-1-one
CID 41121391
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
3-(1-methoxy-3-oxo-1H-isoindol-2-yl)propyl-[6-[3-(1-methoxy-3-oxo-1H-isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
CID 10818793
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one (CID 142724203) is 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one is COC1c2ccccc2C(=O)N1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one?
The InChIKey is JIKVUSCOXUHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-14-12-9-5-4-8-11(12)13(16)15(14)18-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3.
What are the key properties of 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one?
2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one has a molecular weight of 247.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 142724203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).