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

C15H15Cl2NO2 — CID 156786445

IUPAC2-(1-butylindol-3-yl)propanedioyl dichloride
SMILESCCCCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21
InChIInChI=1S/C15H15Cl2NO2/c1-2-3-8-18-9-11(13(14(16)19)15(17)20)10-6-4-5-7-12(10)18/h4-7,9,13H,2-3,8H2,1H3
InChIKeyUXXSELPPMHYRTE-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.06
Rot. Bonds6

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

2-(1-butylindol-3-yl)propanedioyl dichloride (PubChem CID 156786445) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(1-butylindol-3-yl)propanedioyl dichloride.

Molecular Properties

Compound Name2-(1-butylindol-3-yl)propanedioyl dichloride
PubChem CID156786445
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-(1-butylindol-3-yl)propanedioyl dichloride
SMILESCCCCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21
InChIInChI=1S/C15H15Cl2NO2/c1-2-3-8-18-9-11(13(14(16)19)15(17)20)10-6-4-5-7-12(10)18/h4-7,9,13H,2-3,8H2,1H3
InChIKeyUXXSELPPMHYRTE-UHFFFAOYSA-N
XLogP4.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.06
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-ethylindol-3-yl)propanedioyl dichloride
CID 156786457
(1-butylindol-3-yl) propanoate
CID 174769322
2-[1-(3-bromopropyl)indol-3-yl]butanoic acid
CID 175765301
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
CID 142212830
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(E)-5-methyl-1-(1-pentylindol-3-yl)hex-2-en-1-one
CID 138453847
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylindol-3-yl)propanedioyl dichloride?
The IUPAC name of 2-(1-butylindol-3-yl)propanedioyl dichloride (CID 156786445) is 2-(1-butylindol-3-yl)propanedioyl dichloride.
What is the SMILES notation for 2-(1-butylindol-3-yl)propanedioyl dichloride?
The canonical SMILES for 2-(1-butylindol-3-yl)propanedioyl dichloride is CCCCn1cc(C(C(=O)Cl)C(=O)Cl)c2ccccc21.
What is the InChIKey of 2-(1-butylindol-3-yl)propanedioyl dichloride?
The InChIKey is UXXSELPPMHYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-2-3-8-18-9-11(13(14(16)19)15(17)20)10-6-4-5-7-12(10)18/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of 2-(1-butylindol-3-yl)propanedioyl dichloride?
2-(1-butylindol-3-yl)propanedioyl dichloride has a molecular weight of 312.20 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylindol-3-yl)propanedioyl dichloride is sourced from PubChem (CID 156786445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).