N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide

C10H11N3O — CID 119086971

IUPACN'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
SMILESN/C(Cc1cc2ccccc2[nH]1)=N\O
InChIInChI=1S/C10H11N3O/c11-10(13-14)6-8-5-7-3-1-2-4-9(7)12-8/h1-5,12,14H,6H2,(H2,11,13)
InChIKeyWPKSVGVKXPTXJS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.46
Rot. Bonds2

About N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide

N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide (PubChem CID 119086971) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
PubChem CID119086971
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
SMILESN/C(Cc1cc2ccccc2[nH]1)=N\O
InChIInChI=1S/C10H11N3O/c11-10(13-14)6-8-5-7-3-1-2-4-9(7)12-8/h1-5,12,14H,6H2,(H2,11,13)
InChIKeyWPKSVGVKXPTXJS-UHFFFAOYSA-N
XLogP1.46
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.46
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[2-(1H-indol-2-yl)ethylidene]hydroxylamine
CID 87248859
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
N'-[1-(1H-indol-2-yl)propan-2-yl]ethanimidamide
CID 142165156
boric acid;2-(iodomethyl)-1H-indole
CID 174056153
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
2-(2-fluoroethyl)-1H-indole
CID 142633825
1H-indol-2-ylmethanesulfonamide
CID 54351083
3-(1H-indol-2-yl)prop-1-en-1-ol
CID 67309346
1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one
CID 70390739
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide (CID 119086971) is N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide is N/C(Cc1cc2ccccc2[nH]1)=N\O.
What is the InChIKey of N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide?
The InChIKey is WPKSVGVKXPTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(13-14)6-8-5-7-3-1-2-4-9(7)12-8/h1-5,12,14H,6H2,(H2,11,13).
What are the key properties of N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide?
N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide has a molecular weight of 189.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide is sourced from PubChem (CID 119086971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).