7-chloro-3,3-dimethyl-1,2-dihydroindole

C10H12ClN — CID 72698796

IUPAC7-chloro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-10(2)6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,6H2,1-2H3
InChIKeyIISPPYWDLVFVDQ-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.04
Rot. Bonds

About 7-chloro-3,3-dimethyl-1,2-dihydroindole

7-chloro-3,3-dimethyl-1,2-dihydroindole (PubChem CID 72698796) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-1,2-dihydroindole
PubChem CID72698796
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name7-chloro-3,3-dimethyl-1,2-dihydroindole
SMILESCC1(C)CNc2c(Cl)cccc21
InChIInChI=1S/C10H12ClN/c1-10(2)6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,6H2,1-2H3
InChIKeyIISPPYWDLVFVDQ-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-dimethyl-1,2-dihydroindole?
The IUPAC name of 7-chloro-3,3-dimethyl-1,2-dihydroindole (CID 72698796) is 7-chloro-3,3-dimethyl-1,2-dihydroindole.
What is the SMILES notation for 7-chloro-3,3-dimethyl-1,2-dihydroindole?
The canonical SMILES for 7-chloro-3,3-dimethyl-1,2-dihydroindole is CC1(C)CNc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3,3-dimethyl-1,2-dihydroindole?
The InChIKey is IISPPYWDLVFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-10(2)6-12-9-7(10)4-3-5-8(9)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 7-chloro-3,3-dimethyl-1,2-dihydroindole?
7-chloro-3,3-dimethyl-1,2-dihydroindole has a molecular weight of 181.67 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-1,2-dihydroindole is sourced from PubChem (CID 72698796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).