1-hydroxy-3-oxoindene-2-carboximidamide

C10H8N2O2 — CID 137242051

IUPAC1-hydroxy-3-oxoindene-2-carboximidamide
SMILES[H]/N=C(\N)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O2/c11-10(12)7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,13H,(H3,11,12)
InChIKeyACBXIRFBCNEROT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.09
Rot. Bonds1

About 1-hydroxy-3-oxoindene-2-carboximidamide

1-hydroxy-3-oxoindene-2-carboximidamide (PubChem CID 137242051) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-hydroxy-3-oxoindene-2-carboximidamide.

Molecular Properties

Compound Name1-hydroxy-3-oxoindene-2-carboximidamide
PubChem CID137242051
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-hydroxy-3-oxoindene-2-carboximidamide
SMILES[H]/N=C(\N)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O2/c11-10(12)7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,13H,(H3,11,12)
InChIKeyACBXIRFBCNEROT-UHFFFAOYSA-N
XLogP1.09
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-hydroxy-3-oxoindene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-oxoindene-2-carboximidamide?
The IUPAC name of 1-hydroxy-3-oxoindene-2-carboximidamide (CID 137242051) is 1-hydroxy-3-oxoindene-2-carboximidamide.
What is the SMILES notation for 1-hydroxy-3-oxoindene-2-carboximidamide?
The canonical SMILES for 1-hydroxy-3-oxoindene-2-carboximidamide is [H]/N=C(\N)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-3-oxoindene-2-carboximidamide?
The InChIKey is ACBXIRFBCNEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-10(12)7-8(13)5-3-1-2-4-6(5)9(7)14/h1-4,13H,(H3,11,12).
What are the key properties of 1-hydroxy-3-oxoindene-2-carboximidamide?
1-hydroxy-3-oxoindene-2-carboximidamide has a molecular weight of 188.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-oxoindene-2-carboximidamide is sourced from PubChem (CID 137242051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).