1-(2,3-dichloroprop-2-enyl)indole

C11H9Cl2N — CID 79174107

IUPAC1-(2,3-dichloroprop-2-enyl)indole
SMILESClC=C(Cl)Cn1ccc2ccccc21
InChIInChI=1S/C11H9Cl2N/c12-7-10(13)8-14-6-5-9-3-1-2-4-11(9)14/h1-7H,8H2
InChIKeyIYOTYYVUTXSWNE-UHFFFAOYSA-N
MW226.11 g/mol
LogP3.96
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)indole

1-(2,3-dichloroprop-2-enyl)indole (PubChem CID 79174107) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)indole.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)indole
PubChem CID79174107
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name1-(2,3-dichloroprop-2-enyl)indole
SMILESClC=C(Cl)Cn1ccc2ccccc21
InChIInChI=1S/C11H9Cl2N/c12-7-10(13)8-14-6-5-9-3-1-2-4-11(9)14/h1-7H,8H2
InChIKeyIYOTYYVUTXSWNE-UHFFFAOYSA-N
XLogP3.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(Z)-3-chloro-2-methylprop-2-enyl]indole
CID 106440154
1-[(Z)-2,3-dichloroprop-2-enyl]-6-fluoroindole
CID 116619963
1-[(E)-2,3-dichloroprop-2-enyl]indole-5-carbonitrile
CID 107920109
potassium 2-indol-1-ylacetate
CID 172851034
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818
1-ethylindole;propane
CID 91144409
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
CID 58655955
CID 58655955

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)indole?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)indole (CID 79174107) is 1-(2,3-dichloroprop-2-enyl)indole.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)indole?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)indole is ClC=C(Cl)Cn1ccc2ccccc21.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)indole?
The InChIKey is IYOTYYVUTXSWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c12-7-10(13)8-14-6-5-9-3-1-2-4-11(9)14/h1-7H,8H2.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)indole?
1-(2,3-dichloroprop-2-enyl)indole has a molecular weight of 226.11 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)indole is sourced from PubChem (CID 79174107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).