1-hydroxyisoindole-1-carbaldehyde

C9H7NO2 — CID 175043171

IUPAC1-hydroxyisoindole-1-carbaldehyde
SMILESO=CC1(O)N=Cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-6-9(12)8-4-2-1-3-7(8)5-10-9/h1-6,12H
InChIKeyPEOYFIMPCUEASY-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.46
Rot. Bonds1

About 1-hydroxyisoindole-1-carbaldehyde

1-hydroxyisoindole-1-carbaldehyde (PubChem CID 175043171) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-hydroxyisoindole-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxyisoindole-1-carbaldehyde
PubChem CID175043171
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-hydroxyisoindole-1-carbaldehyde
SMILESO=CC1(O)N=Cc2ccccc21
InChIInChI=1S/C9H7NO2/c11-6-9(12)8-4-2-1-3-7(8)5-10-9/h1-6,12H
InChIKeyPEOYFIMPCUEASY-UHFFFAOYSA-N
XLogP0.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-aminoisoindole-1-carboxylic acid
CID 123660879
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
1,3-dihydroxy-3H-2-benzofuran-1-carbaldehyde
CID 174564249
2-ethynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 10561550
7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline
CID 85288934
1H-pyrrolo[1,2-a]quinazoline-3a-carboxylic acid
CID 172754802
9-formylfluorene-9-sulfonic acid
CID 175393983
2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
CID 175078685
9,10-diethynylanthracene-9,10-diol
CID 139175436
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
1-phenyl-2H-naphthalene-1-carbaldehyde
CID 87494055
6-bromo-9-methylbenzo[7]annulene-9-carbaldehyde
CID 13400882

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyisoindole-1-carbaldehyde?
The IUPAC name of 1-hydroxyisoindole-1-carbaldehyde (CID 175043171) is 1-hydroxyisoindole-1-carbaldehyde.
What is the SMILES notation for 1-hydroxyisoindole-1-carbaldehyde?
The canonical SMILES for 1-hydroxyisoindole-1-carbaldehyde is O=CC1(O)N=Cc2ccccc21.
What is the InChIKey of 1-hydroxyisoindole-1-carbaldehyde?
The InChIKey is PEOYFIMPCUEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-6-9(12)8-4-2-1-3-7(8)5-10-9/h1-6,12H.
What are the key properties of 1-hydroxyisoindole-1-carbaldehyde?
1-hydroxyisoindole-1-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyisoindole-1-carbaldehyde is sourced from PubChem (CID 175043171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).