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

C10H12ClN — CID 84718600

IUPAC6-chloro-2,2-dimethyl-1,3-dihydroindole
SMILESCC1(C)Cc2ccc(Cl)cc2N1
InChIInChI=1S/C10H12ClN/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5,12H,6H2,1-2H3
InChIKeyAULSKUAMVNJBPL-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.09
Rot. Bonds

About 6-chloro-2,2-dimethyl-1,3-dihydroindole

6-chloro-2,2-dimethyl-1,3-dihydroindole (PubChem CID 84718600) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-1,3-dihydroindole.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-1,3-dihydroindole
PubChem CID84718600
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name6-chloro-2,2-dimethyl-1,3-dihydroindole
SMILESCC1(C)Cc2ccc(Cl)cc2N1
InChIInChI=1S/C10H12ClN/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5,12H,6H2,1-2H3
InChIKeyAULSKUAMVNJBPL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717066
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
7-chloro-2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
CID 11253056
methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193461
5-chloro-3-methyl-3-propan-2-yl-1,2-dihydroindole
CID 106701880
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
2,2-dimethyl-1,3-dihydroindole-5-carboxamide
CID 174931902
7-chloro-1,4-dihydro-3,1-benzoxazin-2-one
CID 84769220
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
(2E)-1-(1-adamantyl)-2-(7-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 22290713

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-1,3-dihydroindole?
The IUPAC name of 6-chloro-2,2-dimethyl-1,3-dihydroindole (CID 84718600) is 6-chloro-2,2-dimethyl-1,3-dihydroindole.
What is the SMILES notation for 6-chloro-2,2-dimethyl-1,3-dihydroindole?
The canonical SMILES for 6-chloro-2,2-dimethyl-1,3-dihydroindole is CC1(C)Cc2ccc(Cl)cc2N1.
What is the InChIKey of 6-chloro-2,2-dimethyl-1,3-dihydroindole?
The InChIKey is AULSKUAMVNJBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5,12H,6H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-1,3-dihydroindole?
6-chloro-2,2-dimethyl-1,3-dihydroindole has a molecular weight of 181.67 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-1,3-dihydroindole is sourced from PubChem (CID 84718600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).