6-tert-butyl-1-ethylbenzo[cd]indol-2-one

C17H19NO — CID 71263524

IUPAC6-tert-butyl-1-ethylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(C(C)(C)C)ccc1c23
InChIInChI=1S/C17H19NO/c1-5-18-14-10-9-13(17(2,3)4)11-7-6-8-12(15(11)14)16(18)19/h6-10H,5H2,1-4H3
InChIKeyHWWOPOZMDGKQFW-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.12
Rot. Bonds1

About 6-tert-butyl-1-ethylbenzo[cd]indol-2-one

6-tert-butyl-1-ethylbenzo[cd]indol-2-one (PubChem CID 71263524) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-tert-butyl-1-ethylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-ethylbenzo[cd]indol-2-one
PubChem CID71263524
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-tert-butyl-1-ethylbenzo[cd]indol-2-one
SMILESCCN1C(=O)c2cccc3c(C(C)(C)C)ccc1c23
InChIInChI=1S/C17H19NO/c1-5-18-14-10-9-13(17(2,3)4)11-7-6-8-12(15(11)14)16(18)19/h6-10H,5H2,1-4H3
InChIKeyHWWOPOZMDGKQFW-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethylbenzo[cd]indol-2-one?
The IUPAC name of 6-tert-butyl-1-ethylbenzo[cd]indol-2-one (CID 71263524) is 6-tert-butyl-1-ethylbenzo[cd]indol-2-one.
What is the SMILES notation for 6-tert-butyl-1-ethylbenzo[cd]indol-2-one?
The canonical SMILES for 6-tert-butyl-1-ethylbenzo[cd]indol-2-one is CCN1C(=O)c2cccc3c(C(C)(C)C)ccc1c23.
What is the InChIKey of 6-tert-butyl-1-ethylbenzo[cd]indol-2-one?
The InChIKey is HWWOPOZMDGKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-5-18-14-10-9-13(17(2,3)4)11-7-6-8-12(15(11)14)16(18)19/h6-10H,5H2,1-4H3.
What are the key properties of 6-tert-butyl-1-ethylbenzo[cd]indol-2-one?
6-tert-butyl-1-ethylbenzo[cd]indol-2-one has a molecular weight of 253.34 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethylbenzo[cd]indol-2-one is sourced from PubChem (CID 71263524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).