(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride

C10H9ClN2O2 — CID 137028256

IUPAC(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
SMILESCOc1cccc2[nH]cc(/C(Cl)=N\O)c12
InChIInChI=1S/C10H9ClN2O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3/b13-10+
InChIKeyBLXLCESUSAVRDE-JLHYYAGUSA-N
MW224.65 g/mol
LogP2.55
Rot. Bonds2

About (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride

(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride (PubChem CID 137028256) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
PubChem CID137028256
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
SMILESCOc1cccc2[nH]cc(/C(Cl)=N\O)c12
InChIInChI=1S/C10H9ClN2O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3/b13-10+
InChIKeyBLXLCESUSAVRDE-JLHYYAGUSA-N
XLogP2.55
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
CID 135742376
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261

Frequently Asked Questions

What is the IUPAC name of (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride?
The IUPAC name of (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride (CID 137028256) is (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride.
What is the SMILES notation for (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride?
The canonical SMILES for (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride is COc1cccc2[nH]cc(/C(Cl)=N\O)c12.
What is the InChIKey of (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride?
The InChIKey is BLXLCESUSAVRDE-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3/b13-10+.
What are the key properties of (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride?
(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride has a molecular weight of 224.65 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride is sourced from PubChem (CID 137028256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).