4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole

C11H7Cl4N — CID 103428376

IUPAC4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
SMILESCl/C=C(/Cl)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H7Cl4N/c12-5-8(14)6-16-2-1-9-10(15)3-7(13)4-11(9)16/h1-5H,6H2/b8-5+
InChIKeyDBQSCHKYVJTELV-VMPITWQZSA-N
MW295.00 g/mol
LogP5.27
Rot. Bonds2

About 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole

4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole (PubChem CID 103428376) has the molecular formula C11H7Cl4N and a molecular weight of 295.00 g/mol. Its IUPAC name is 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole.

Molecular Properties

Compound Name4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
PubChem CID103428376
Molecular FormulaC11H7Cl4N
Molecular Weight295.00 g/mol
Exact Mass292.93
IUPAC Name4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole
SMILESCl/C=C(/Cl)Cn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H7Cl4N/c12-5-8(14)6-16-2-1-9-10(15)3-7(13)4-11(9)16/h1-5H,6H2/b8-5+
InChIKeyDBQSCHKYVJTELV-VMPITWQZSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.00
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
4,6-dichloro-1-[(4-iodophenyl)methyl]indole
CID 103428355
2-(4,6-dichloroindol-1-yl)-N-ethyl-N-methylacetamide
CID 103428284
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962
2-(4,6-dichloroindol-1-yl)-1-(2-fluorophenyl)ethanone
CID 103427998
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
1-(2,3-dichloroprop-2-enyl)indole
CID 79174107
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
4,6-dichloro-1-(2-methylsulfanylethyl)indole
CID 103428339
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole?
The IUPAC name of 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole (CID 103428376) is 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole.
What is the SMILES notation for 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole?
The canonical SMILES for 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole is Cl/C=C(/Cl)Cn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole?
The InChIKey is DBQSCHKYVJTELV-VMPITWQZSA-N. The full InChI is InChI=1S/C11H7Cl4N/c12-5-8(14)6-16-2-1-9-10(15)3-7(13)4-11(9)16/h1-5H,6H2/b8-5+.
What are the key properties of 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole?
4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole has a molecular weight of 295.00 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(E)-2,3-dichloroprop-2-enyl]indole is sourced from PubChem (CID 103428376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).