2-hydroxy-1,3-dihydroisoindole-4-carboxamide

C9H10N2O2 — CID 170693417

IUPAC2-hydroxy-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(O)C2
InChIInChI=1S/C9H10N2O2/c10-9(12)7-3-1-2-6-4-11(13)5-8(6)7/h1-3,13H,4-5H2,(H2,10,12)
InChIKeyMKJRULCUOKRDDH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.49
Rot. Bonds1

About 2-hydroxy-1,3-dihydroisoindole-4-carboxamide

2-hydroxy-1,3-dihydroisoindole-4-carboxamide (PubChem CID 170693417) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1,3-dihydroisoindole-4-carboxamide
PubChem CID170693417
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-hydroxy-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(O)C2
InChIInChI=1S/C9H10N2O2/c10-9(12)7-3-1-2-6-4-11(13)5-8(6)7/h1-3,13H,4-5H2,(H2,10,12)
InChIKeyMKJRULCUOKRDDH-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluorene-1-carboxamide
CID 18474131
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
9H-fluorene-1,8-dicarboxamide
CID 21019291
1,1,2-trimethyl-3H-isoindole-4-carboxamide
CID 175542528
9H-xanthene-4,5-dicarboxamide
CID 162768624
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
CID 164660426
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 154744266

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of 2-hydroxy-1,3-dihydroisoindole-4-carboxamide (CID 170693417) is 2-hydroxy-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 2-hydroxy-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for 2-hydroxy-1,3-dihydroisoindole-4-carboxamide is NC(=O)c1cccc2c1CN(O)C2.
What is the InChIKey of 2-hydroxy-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is MKJRULCUOKRDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)7-3-1-2-6-4-11(13)5-8(6)7/h1-3,13H,4-5H2,(H2,10,12).
What are the key properties of 2-hydroxy-1,3-dihydroisoindole-4-carboxamide?
2-hydroxy-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 170693417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).