2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide

C10H13N3O — CID 24703377

IUPAC2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(CN1CCc2ccccc21)=N\O
InChIInChI=1S/C10H13N3O/c11-10(12-14)7-13-6-5-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H2,11,12)
InChIKeyYIDJTXKMHKSHPU-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.80
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide

2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide (PubChem CID 24703377) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
PubChem CID24703377
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(CN1CCc2ccccc21)=N\O
InChIInChI=1S/C10H13N3O/c11-10(12-14)7-13-6-5-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H2,11,12)
InChIKeyYIDJTXKMHKSHPU-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
N'-hydroxy-2-(4-methoxy-2,3-dihydroindol-1-yl)ethanimidamide
CID 129499778
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482447
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide (CID 24703377) is 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide is N/C(CN1CCc2ccccc21)=N\O.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is YIDJTXKMHKSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(12-14)7-13-6-5-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H2,11,12).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide?
2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 191.23 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 24703377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).