2-chloro-3,3,5-trimethylindole

C11H12ClN — CID 163716557

IUPAC2-chloro-3,3,5-trimethylindole
SMILESCc1ccc2c(c1)C(C)(C)C(Cl)=N2
InChIInChI=1S/C11H12ClN/c1-7-4-5-9-8(6-7)11(2,3)10(12)13-9/h4-6H,1-3H3
InChIKeyKNWOEBIRWYISIQ-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.56
Rot. Bonds

About 2-chloro-3,3,5-trimethylindole

2-chloro-3,3,5-trimethylindole (PubChem CID 163716557) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-chloro-3,3,5-trimethylindole.

Molecular Properties

Compound Name2-chloro-3,3,5-trimethylindole
PubChem CID163716557
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name2-chloro-3,3,5-trimethylindole
SMILESCc1ccc2c(c1)C(C)(C)C(Cl)=N2
InChIInChI=1S/C11H12ClN/c1-7-4-5-9-8(6-7)11(2,3)10(12)13-9/h4-6H,1-3H3
InChIKeyKNWOEBIRWYISIQ-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2,2,5,9,9,16,16-heptamethyltetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 177102314
5-isocyano-2,3,3-trimethylindole
CID 20740982
(E)-5-(2,3,5-trimethylindol-3-yl)pent-4-enoic acid
CID 25119501
2,6,9,9-tetramethylfluorene
CID 23527438
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
7,10,10-trimethyl-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(23),2,4(9),5,7,11,14,16,18,20(24),21-undecaene
CID 50916395
3,6,9,9-tetramethyl-10H-acridine
CID 155683472
ethane;9-fluoro-2,7,9-trimethylfluorene
CID 142891538
3-chloro-2,7-dimethyl-2H-1,4-benzoxazine
CID 82363801
(7,9,9-trimethylfluoren-2-yl)boronic acid
CID 125469672
2,2,3,3,5-pentamethyl-1H-isoindol-2-ium
CID 59439851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,3,5-trimethylindole?
The IUPAC name of 2-chloro-3,3,5-trimethylindole (CID 163716557) is 2-chloro-3,3,5-trimethylindole.
What is the SMILES notation for 2-chloro-3,3,5-trimethylindole?
The canonical SMILES for 2-chloro-3,3,5-trimethylindole is Cc1ccc2c(c1)C(C)(C)C(Cl)=N2.
What is the InChIKey of 2-chloro-3,3,5-trimethylindole?
The InChIKey is KNWOEBIRWYISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-4-5-9-8(6-7)11(2,3)10(12)13-9/h4-6H,1-3H3.
What are the key properties of 2-chloro-3,3,5-trimethylindole?
2-chloro-3,3,5-trimethylindole has a molecular weight of 193.68 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,3,5-trimethylindole is sourced from PubChem (CID 163716557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).