N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride

C9H11ClN2O2 — CID 175813722

IUPACN-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cccc2c1CNC2
InChIInChI=1S/C9H10N2O2.ClH/c12-9(11-13)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10,13H,4-5H2,(H,11,12);1H
InChIKeyFBYPLRCJFLCAII-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.83
Rot. Bonds1

About N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride

N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride (PubChem CID 175813722) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
PubChem CID175813722
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC NameN-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cccc2c1CNC2
InChIInChI=1S/C9H10N2O2.ClH/c12-9(11-13)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10,13H,4-5H2,(H,11,12);1H
InChIKeyFBYPLRCJFLCAII-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 162338352
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
methyl 4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazine-1-carboxylate
CID 163403218
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(5-hydroxypentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107317575
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-[1-(hydroxymethyl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558513
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489199

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride (CID 175813722) is N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride is Cl.O=C(NO)c1cccc2c1CNC2.
What is the InChIKey of N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The InChIKey is FBYPLRCJFLCAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2.ClH/c12-9(11-13)7-3-1-2-6-4-10-5-8(6)7;/h1-3,10,13H,4-5H2,(H,11,12);1H.
What are the key properties of N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride is sourced from PubChem (CID 175813722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).