(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone

C15H14N2O3 — CID 107721484

IUPAC(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone
SMILESNc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1O)C2
InChIInChI=1S/C15H14N2O3/c16-11-2-1-9-7-17(8-10(9)5-11)15(20)13-6-12(18)3-4-14(13)19/h1-6,18-19H,7-8,16H2
InChIKeyXGAWFGCSDYBCAW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.84
Rot. Bonds1

About (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone

(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone (PubChem CID 107721484) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone
PubChem CID107721484
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone
SMILESNc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1O)C2
InChIInChI=1S/C15H14N2O3/c16-11-2-1-9-7-17(8-10(9)5-11)15(20)13-6-12(18)3-4-14(13)19/h1-6,18-19H,7-8,16H2
InChIKeyXGAWFGCSDYBCAW-UHFFFAOYSA-N
XLogP1.84
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721490
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
(5-amino-1,3-dihydroisoindol-2-yl)-(3,5-dibromophenyl)methanone
CID 107971057
1-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylpropan-1-one
CID 66000085
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105063024
(5-amino-1,3-dihydroisoindol-2-yl)-(4-propan-2-ylphenyl)methanone
CID 66000487
(2,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314386
(2,5-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 107722294
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(5-amino-1,3-dihydroisoindol-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 66000096
(5-amino-1,3-dihydroisoindol-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107997623

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone?
The IUPAC name of (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone (CID 107721484) is (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone.
What is the SMILES notation for (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone?
The canonical SMILES for (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone is Nc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1O)C2.
What is the InChIKey of (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone?
The InChIKey is XGAWFGCSDYBCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-11-2-1-9-7-17(8-10(9)5-11)15(20)13-6-12(18)3-4-14(13)19/h1-6,18-19H,7-8,16H2.
What are the key properties of (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone?
(5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone has a molecular weight of 270.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dihydroisoindol-2-yl)-(2,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107721484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).