(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride

C10H9ClN2O — CID 124674422

IUPAC(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride
SMILESCn1cc(/C(Cl)=N\O)c2ccccc21
InChIInChI=1S/C10H9ClN2O/c1-13-6-8(10(11)12-14)7-4-2-3-5-9(7)13/h2-6,14H,1H3/b12-10+
InChIKeyUNSGXQJSHWCRIO-ZRDIBKRKSA-N
MW208.65 g/mol
LogP2.55
Rot. Bonds1

About (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride

(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride (PubChem CID 124674422) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride
PubChem CID124674422
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride
SMILESCn1cc(/C(Cl)=N\O)c2ccccc21
InChIInChI=1S/C10H9ClN2O/c1-13-6-8(10(11)12-14)7-4-2-3-5-9(7)13/h2-6,14H,1H3/b12-10+
InChIKeyUNSGXQJSHWCRIO-ZRDIBKRKSA-N
XLogP2.55
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
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

ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
1-methylindole-3-carbothioic S-acid
CID 116918837
chloro 1-methylindole-3-carboxylate
CID 69132264
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426

Frequently Asked Questions

What is the IUPAC name of (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride?
The IUPAC name of (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride (CID 124674422) is (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride.
What is the SMILES notation for (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride?
The canonical SMILES for (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride is Cn1cc(/C(Cl)=N\O)c2ccccc21.
What is the InChIKey of (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride?
The InChIKey is UNSGXQJSHWCRIO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-6-8(10(11)12-14)7-4-2-3-5-9(7)13/h2-6,14H,1H3/b12-10+.
What are the key properties of (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride?
(3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride has a molecular weight of 208.65 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-hydroxy-1-methylindole-3-carboximidoyl chloride is sourced from PubChem (CID 124674422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).