(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride

C9H7ClN2O — CID 135474608

IUPAC(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C9H7ClN2O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H/b12-9+
InChIKeyOTFWEYWWCZMXER-FMIVXFBMSA-N
MW194.62 g/mol
LogP2.54
Rot. Bonds1

About (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride

(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride (PubChem CID 135474608) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
PubChem CID135474608
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride
SMILESO/N=C(/Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C9H7ClN2O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H/b12-9+
InChIKeyOTFWEYWWCZMXER-FMIVXFBMSA-N
XLogP2.54
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
(3E)-5-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028258
(3E)-7-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028251
(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
CID 135449264
N-oxo-1H-indole-3-carboxamide
CID 88522766
(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
CID 137028256
2-chloro-1-(1H-indol-3-yl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 137083857
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
sodium 1H-indole-3-carboxylate
CID 23698293
(E)-1,3-bis(1H-indol-3-yl)-N-methylbut-2-en-1-imine
CID 142337439
1H-indol-3-yl(pyrrolidin-1-yl)methanethione
CID 750123

Frequently Asked Questions

What is the IUPAC name of (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The IUPAC name of (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride (CID 135474608) is (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride.
What is the SMILES notation for (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The canonical SMILES for (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride is O/N=C(/Cl)c1c[nH]c2ccccc12.
What is the InChIKey of (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride?
The InChIKey is OTFWEYWWCZMXER-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-9(12-13)7-5-11-8-4-2-1-3-6(7)8/h1-5,11,13H/b12-9+.
What are the key properties of (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride?
(3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride has a molecular weight of 194.62 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-hydroxy-1H-indole-3-carboximidoyl chloride is sourced from PubChem (CID 135474608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).