2-(1-ethylindol-3-yl)propanedioyl dichloride

C13H11Cl2NO2 — CID 156786457

IUPAC2-(1-ethylindol-3-yl)propanedioyl dichloride
SMILESCCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21
InChIInChI=1S/C13H11Cl2NO2/c1-2-16-7-9(11(12(14)17)13(15)18)8-5-3-4-6-10(8)16/h3-7,11H,2H2,1H3
InChIKeyUBPSOJKFUNZYJJ-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.28
Rot. Bonds4

About 2-(1-ethylindol-3-yl)propanedioyl dichloride

2-(1-ethylindol-3-yl)propanedioyl dichloride (PubChem CID 156786457) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)propanedioyl dichloride.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)propanedioyl dichloride
PubChem CID156786457
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name2-(1-ethylindol-3-yl)propanedioyl dichloride
SMILESCCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21
InChIInChI=1S/C13H11Cl2NO2/c1-2-16-7-9(11(12(14)17)13(15)18)8-5-3-4-6-10(8)16/h3-7,11H,2H2,1H3
InChIKeyUBPSOJKFUNZYJJ-UHFFFAOYSA-N
XLogP3.28
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1-butylindol-3-yl)propanedioyl dichloride
CID 156786445
(2S)-2-(1-ethylindol-3-yl)butanedioic acid
CID 1096245
acetic acid;1-ethylindol-3-ol
CID 71405602
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704
ethyl 2-(1-ethylindol-3-yl)sulfanylacetate
CID 43949356
tris(1-ethylindol-3-yl)methanol
CID 142757847
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
4-[(1-ethylindol-3-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3155995
(2R)-2-[[2-(1-ethylindol-3-yl)acetyl]amino]propanoic acid
CID 119244285
2-[1-(3-bromopropyl)indol-3-yl]butanoic acid
CID 175765301
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)propanedioyl dichloride?
The IUPAC name of 2-(1-ethylindol-3-yl)propanedioyl dichloride (CID 156786457) is 2-(1-ethylindol-3-yl)propanedioyl dichloride.
What is the SMILES notation for 2-(1-ethylindol-3-yl)propanedioyl dichloride?
The canonical SMILES for 2-(1-ethylindol-3-yl)propanedioyl dichloride is CCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)propanedioyl dichloride?
The InChIKey is UBPSOJKFUNZYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-2-16-7-9(11(12(14)17)13(15)18)8-5-3-4-6-10(8)16/h3-7,11H,2H2,1H3.
What are the key properties of 2-(1-ethylindol-3-yl)propanedioyl dichloride?
2-(1-ethylindol-3-yl)propanedioyl dichloride has a molecular weight of 284.14 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)propanedioyl dichloride is sourced from PubChem (CID 156786457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).