N'-hydroxy-2,3-dihydroindole-1-carboximidamide

C9H11N3O — CID 126972145

IUPACN'-hydroxy-2,3-dihydroindole-1-carboximidamide
SMILESN/C(=N\O)N1CCc2ccccc21
InChIInChI=1S/C9H11N3O/c10-9(11-13)12-6-5-7-3-1-2-4-8(7)12/h1-4,13H,5-6H2,(H2,10,11)
InChIKeyJNBWKHQGJVLHBG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.75
Rot. Bonds

About N'-hydroxy-2,3-dihydroindole-1-carboximidamide

N'-hydroxy-2,3-dihydroindole-1-carboximidamide (PubChem CID 126972145) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N'-hydroxy-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,3-dihydroindole-1-carboximidamide
PubChem CID126972145
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN'-hydroxy-2,3-dihydroindole-1-carboximidamide
SMILESN/C(=N\O)N1CCc2ccccc21
InChIInChI=1S/C9H11N3O/c10-9(11-13)12-6-5-7-3-1-2-4-8(7)12/h1-4,13H,5-6H2,(H2,10,11)
InChIKeyJNBWKHQGJVLHBG-UHFFFAOYSA-N
XLogP0.75
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2,3-dihydroindole-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
CID 22149279
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
CID 24703377

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-hydroxy-2,3-dihydroindole-1-carboximidamide (CID 126972145) is N'-hydroxy-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2,3-dihydroindole-1-carboximidamide is N/C(=N\O)N1CCc2ccccc21.
What is the InChIKey of N'-hydroxy-2,3-dihydroindole-1-carboximidamide?
The InChIKey is JNBWKHQGJVLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-9(11-13)12-6-5-7-3-1-2-4-8(7)12/h1-4,13H,5-6H2,(H2,10,11).
What are the key properties of N'-hydroxy-2,3-dihydroindole-1-carboximidamide?
N'-hydroxy-2,3-dihydroindole-1-carboximidamide has a molecular weight of 177.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 126972145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).