2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid

C11H11N3O3 — CID 68655502

IUPAC2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2c(C=NNO)cccc21
InChIInChI=1S/C11H11N3O3/c15-11(16)7-14-5-4-9-8(6-12-13-17)2-1-3-10(9)14/h1-6,13,17H,7H2,(H,15,16)
InChIKeySQHHCXQJAPLSNG-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.04
Rot. Bonds4

About 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid

2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid (PubChem CID 68655502) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid
PubChem CID68655502
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2c(C=NNO)cccc21
InChIInChI=1S/C11H11N3O3/c15-11(16)7-14-5-4-9-8(6-12-13-17)2-1-3-10(9)14/h1-6,13,17H,7H2,(H,15,16)
InChIKeySQHHCXQJAPLSNG-UHFFFAOYSA-N
XLogP1.04
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
2-[4-(N'-hydroxycarbamimidoyl)indol-1-yl]acetic acid
CID 173101260
3-chloro-N-[(E)-[1-[2-(diethylamino)-2-oxoethyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 10873618
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
CID 154846912
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
methyl 4-[[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate
CID 154682754
3-amino-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 87419048
3-chloro-4-hydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 172956866
3-amino-4-hydroxy-N-[(E)-[1-[(2,3,5,6-tetramethylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 87096465
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
2-[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 3582277

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid (CID 68655502) is 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid is O=C(O)Cn1ccc2c(C=NNO)cccc21.
What is the InChIKey of 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid?
The InChIKey is SQHHCXQJAPLSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(16)7-14-5-4-9-8(6-12-13-17)2-1-3-10(9)14/h1-6,13,17H,7H2,(H,15,16).
What are the key properties of 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid?
2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid has a molecular weight of 233.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(hydroxyhydrazinylidene)methyl]indol-1-yl]acetic acid is sourced from PubChem (CID 68655502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).