1-[(Z)-3-chloro-2-methylprop-2-enyl]indole

C12H12ClN — CID 106440154

IUPAC1-[(Z)-3-chloro-2-methylprop-2-enyl]indole
SMILESC/C(=C/Cl)Cn1ccc2ccccc21
InChIInChI=1S/C12H12ClN/c1-10(8-13)9-14-7-6-11-4-2-3-5-12(11)14/h2-8H,9H2,1H3/b10-8-
InChIKeyDINPHFFBQMMNGH-NTMALXAHSA-N
MW205.69 g/mol
LogP3.78
Rot. Bonds2

About 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole

1-[(Z)-3-chloro-2-methylprop-2-enyl]indole (PubChem CID 106440154) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-2-enyl]indole
PubChem CID106440154
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name1-[(Z)-3-chloro-2-methylprop-2-enyl]indole
SMILESC/C(=C/Cl)Cn1ccc2ccccc21
InChIInChI=1S/C12H12ClN/c1-10(8-13)9-14-7-6-11-4-2-3-5-12(11)14/h2-8H,9H2,1H3/b10-8-
InChIKeyDINPHFFBQMMNGH-NTMALXAHSA-N
XLogP3.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichloroprop-2-enyl)indole
CID 79174107
1-[(2E,6E)-8-bromo-2,6-dimethylocta-2,6-dienyl]indole
CID 66678570
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
CID 58655955
CID 58655955
N'-acetyl-2-indol-1-ylacetohydrazide
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potassium 2-indol-1-ylacetate
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1-ethylindole;propane
CID 91144409
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
acetic acid;1-butylindole
CID 162326365
1-(2-fluoroethyl)indole
CID 80694500
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole (CID 106440154) is 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole is C/C(=C/Cl)Cn1ccc2ccccc21.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole?
The InChIKey is DINPHFFBQMMNGH-NTMALXAHSA-N. The full InChI is InChI=1S/C12H12ClN/c1-10(8-13)9-14-7-6-11-4-2-3-5-12(11)14/h2-8H,9H2,1H3/b10-8-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole?
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole has a molecular weight of 205.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-2-enyl]indole is sourced from PubChem (CID 106440154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).