2-tert-butyl-3H-benzo[g]indole

C16H17N — CID 58793851

IUPAC2-tert-butyl-3H-benzo[g]indole
SMILESCC(C)(C)C1=Nc2c(ccc3ccccc23)C1
InChIInChI=1S/C16H17N/c1-16(2,3)14-10-12-9-8-11-6-4-5-7-13(11)15(12)17-14/h4-9H,10H2,1-3H3
InChIKeyNEJLNSYSKOCRCS-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.51
Rot. Bonds

About 2-tert-butyl-3H-benzo[g]indole

2-tert-butyl-3H-benzo[g]indole (PubChem CID 58793851) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-tert-butyl-3H-benzo[g]indole.

Molecular Properties

Compound Name2-tert-butyl-3H-benzo[g]indole
PubChem CID58793851
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-tert-butyl-3H-benzo[g]indole
SMILESCC(C)(C)C1=Nc2c(ccc3ccccc23)C1
InChIInChI=1S/C16H17N/c1-16(2,3)14-10-12-9-8-11-6-4-5-7-13(11)15(12)17-14/h4-9H,10H2,1-3H3
InChIKeyNEJLNSYSKOCRCS-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-benzo[g]indole?
The IUPAC name of 2-tert-butyl-3H-benzo[g]indole (CID 58793851) is 2-tert-butyl-3H-benzo[g]indole.
What is the SMILES notation for 2-tert-butyl-3H-benzo[g]indole?
The canonical SMILES for 2-tert-butyl-3H-benzo[g]indole is CC(C)(C)C1=Nc2c(ccc3ccccc23)C1.
What is the InChIKey of 2-tert-butyl-3H-benzo[g]indole?
The InChIKey is NEJLNSYSKOCRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-16(2,3)14-10-12-9-8-11-6-4-5-7-13(11)15(12)17-14/h4-9H,10H2,1-3H3.
What are the key properties of 2-tert-butyl-3H-benzo[g]indole?
2-tert-butyl-3H-benzo[g]indole has a molecular weight of 223.32 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-benzo[g]indole is sourced from PubChem (CID 58793851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).