2-ethoxy-1,3-dihydroisoindole

C10H13NO — CID 119087983

IUPAC2-ethoxy-1,3-dihydroisoindole
SMILESCCON1Cc2ccccc2C1
InChIInChI=1S/C10H13NO/c1-2-12-11-7-9-5-3-4-6-10(9)8-11/h3-6H,2,7-8H2,1H3
InChIKeyIYMPRWBPKDBGJU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds2

About 2-ethoxy-1,3-dihydroisoindole

2-ethoxy-1,3-dihydroisoindole (PubChem CID 119087983) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-ethoxy-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-ethoxy-1,3-dihydroisoindole
PubChem CID119087983
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-ethoxy-1,3-dihydroisoindole
SMILESCCON1Cc2ccccc2C1
InChIInChI=1S/C10H13NO/c1-2-12-11-7-9-5-3-4-6-10(9)8-11/h3-6H,2,7-8H2,1H3
InChIKeyIYMPRWBPKDBGJU-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline
CID 422478
2-nitroso-2,3-dihydro-1H-isoindole
CID 12710701
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
2-Hexylisoindoline hydrobromide
CID 6602811
(R)-2-(Isoindolin-2-yl)butan-1-ol
CID 2733099
N-hydroxy-1,1,3,3-tetramethyl-1,3-dihydroisoindole
CID 11030629
1-(2,3-dihydro-1H-isoindol-2-yl)ethan-1-one
CID 15444356
2-(3-methylbutyl)-2,3-dihydro-1H-isoindole
CID 1402693
CID 10987067
CID 10987067
2,2-Dimethyl-2,3-dihydro-1H-isoindol-2-ium bromide
CID 24187147
2-(1,3-dihydro-2H-isoindol-2-yl)ethanol
CID 12250379
2,3-dihydro-1H-isoindole-2-carbonitrile
CID 12449102

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dihydroisoindole?
The IUPAC name of 2-ethoxy-1,3-dihydroisoindole (CID 119087983) is 2-ethoxy-1,3-dihydroisoindole.
What is the SMILES notation for 2-ethoxy-1,3-dihydroisoindole?
The canonical SMILES for 2-ethoxy-1,3-dihydroisoindole is CCON1Cc2ccccc2C1.
What is the InChIKey of 2-ethoxy-1,3-dihydroisoindole?
The InChIKey is IYMPRWBPKDBGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-12-11-7-9-5-3-4-6-10(9)8-11/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-ethoxy-1,3-dihydroisoindole?
2-ethoxy-1,3-dihydroisoindole has a molecular weight of 163.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dihydroisoindole is sourced from PubChem (CID 119087983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).