2-ethyl-1,2-dihydrobenzo[cd]indole

C13H13N — CID 162781792

IUPAC2-ethyl-1,2-dihydrobenzo[cd]indole
SMILESCCC1Nc2cccc3cccc1c23
InChIInChI=1S/C13H13N/c1-2-11-10-7-3-5-9-6-4-8-12(14-11)13(9)10/h3-8,11,14H,2H2,1H3
InChIKeyKBFPWYUETQNGJJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.72
Rot. Bonds1

About 2-ethyl-1,2-dihydrobenzo[cd]indole

2-ethyl-1,2-dihydrobenzo[cd]indole (PubChem CID 162781792) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethyl-1,2-dihydrobenzo[cd]indole.

Molecular Properties

Compound Name2-ethyl-1,2-dihydrobenzo[cd]indole
PubChem CID162781792
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-ethyl-1,2-dihydrobenzo[cd]indole
SMILESCCC1Nc2cccc3cccc1c23
InChIInChI=1S/C13H13N/c1-2-11-10-7-3-5-9-6-4-8-12(14-11)13(9)10/h3-8,11,14H,2H2,1H3
InChIKeyKBFPWYUETQNGJJ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-dihydrobenzo[cd]indole?
The IUPAC name of 2-ethyl-1,2-dihydrobenzo[cd]indole (CID 162781792) is 2-ethyl-1,2-dihydrobenzo[cd]indole.
What is the SMILES notation for 2-ethyl-1,2-dihydrobenzo[cd]indole?
The canonical SMILES for 2-ethyl-1,2-dihydrobenzo[cd]indole is CCC1Nc2cccc3cccc1c23.
What is the InChIKey of 2-ethyl-1,2-dihydrobenzo[cd]indole?
The InChIKey is KBFPWYUETQNGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-2-11-10-7-3-5-9-6-4-8-12(14-11)13(9)10/h3-8,11,14H,2H2,1H3.
What are the key properties of 2-ethyl-1,2-dihydrobenzo[cd]indole?
2-ethyl-1,2-dihydrobenzo[cd]indole has a molecular weight of 183.25 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-dihydrobenzo[cd]indole is sourced from PubChem (CID 162781792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).