7-tert-butyl-2H-indole

C12H15N — CID 157108111

IUPAC7-tert-butyl-2H-indole
SMILESCC(C)(C)c1cccc2c1=NCC=2
InChIInChI=1S/C12H15N/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h4-7H,8H2,1-3H3
InChIKeyGEUKLBRGYLRIAL-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.40
Rot. Bonds

About 7-tert-butyl-2H-indole

7-tert-butyl-2H-indole (PubChem CID 157108111) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 7-tert-butyl-2H-indole.

Molecular Properties

Compound Name7-tert-butyl-2H-indole
PubChem CID157108111
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name7-tert-butyl-2H-indole
SMILESCC(C)(C)c1cccc2c1=NCC=2
InChIInChI=1S/C12H15N/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h4-7H,8H2,1-3H3
InChIKeyGEUKLBRGYLRIAL-UHFFFAOYSA-N
XLogP1.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-yl)-3,5-dimethyl-2H-pyrrole
CID 156281232
7-methyl-2H-indole
CID 13640031
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
3-methyl-2H-indole
CID 20767131
2-Methylbenzo[c]indole
CID 44182047
(2,2-Dimethyl-1-phenylpropylidene)azanide;tungsten(2+)
CID 57540248
5-tert-butyl-2H-indole
CID 57987275
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
5-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58147203
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732
4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
Iridium;2,2,5,5-tetramethyl-6-phenylpyridine
CID 58983183

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2H-indole?
The IUPAC name of 7-tert-butyl-2H-indole (CID 157108111) is 7-tert-butyl-2H-indole.
What is the SMILES notation for 7-tert-butyl-2H-indole?
The canonical SMILES for 7-tert-butyl-2H-indole is CC(C)(C)c1cccc2c1=NCC=2.
What is the InChIKey of 7-tert-butyl-2H-indole?
The InChIKey is GEUKLBRGYLRIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10/h4-7H,8H2,1-3H3.
What are the key properties of 7-tert-butyl-2H-indole?
7-tert-butyl-2H-indole has a molecular weight of 173.26 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2H-indole is sourced from PubChem (CID 157108111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).