3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one

C10H12N2O2 — CID 13319457

IUPAC3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(NCCO)c2ccccc21
InChIInChI=1S/C10H12N2O2/c13-6-5-11-9-7-3-1-2-4-8(7)10(14)12-9/h1-4,9,11,13H,5-6H2,(H,12,14)
InChIKeySKLKZIIFERPYQU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.01
Rot. Bonds3

About 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one

3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one (PubChem CID 13319457) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one
PubChem CID13319457
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(NCCO)c2ccccc21
InChIInChI=1S/C10H12N2O2/c13-6-5-11-9-7-3-1-2-4-8(7)10(14)12-9/h1-4,9,11,13H,5-6H2,(H,12,14)
InChIKeySKLKZIIFERPYQU-UHFFFAOYSA-N
XLogP0.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-2,3-dihydroisoindol-1-one
CID 119088605
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
methyl (1S)-3-oxo-1,2-dihydroisoindole-1-carboxylate
CID 97359010
1-amino-1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 151643396
3-acetyl-2,3-dihydroisoindol-1-one
CID 58837111
(3S,4S)-3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 124583389
2,7b-dihydro-1aH-oxireno[2,3-c]isoquinolin-3-one
CID 153205873
3,4-dimethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 59874658
7-(propylamino)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 15697633
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
1,1a,2,7b-tetrahydrocyclopropa[c]isoquinolin-3-one
CID 82274917
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one (CID 13319457) is 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one is O=C1NC(NCCO)c2ccccc21.
What is the InChIKey of 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is SKLKZIIFERPYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-6-5-11-9-7-3-1-2-4-8(7)10(14)12-9/h1-4,9,11,13H,5-6H2,(H,12,14).
What are the key properties of 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one?
3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 192.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 13319457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).