1,2-diethyl-3H-benzo[e]indole

C16H17N — CID 175675424

IUPAC1,2-diethyl-3H-benzo[e]indole
SMILESCCc1[nH]c2ccc3ccccc3c2c1CC
InChIInChI=1S/C16H17N/c1-3-12-14(4-2)17-15-10-9-11-7-5-6-8-13(11)16(12)15/h5-10,17H,3-4H2,1-2H3
InChIKeyDMZWUOQBBOGTLJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.45
Rot. Bonds2

About 1,2-diethyl-3H-benzo[e]indole

1,2-diethyl-3H-benzo[e]indole (PubChem CID 175675424) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,2-diethyl-3H-benzo[e]indole.

Molecular Properties

Compound Name1,2-diethyl-3H-benzo[e]indole
PubChem CID175675424
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1,2-diethyl-3H-benzo[e]indole
SMILESCCc1[nH]c2ccc3ccccc3c2c1CC
InChIInChI=1S/C16H17N/c1-3-12-14(4-2)17-15-10-9-11-7-5-6-8-13(11)16(12)15/h5-10,17H,3-4H2,1-2H3
InChIKeyDMZWUOQBBOGTLJ-UHFFFAOYSA-N
XLogP4.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
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8-chloro-7H-benzo[c]carbazole
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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3H-benzo[e]indole?
The IUPAC name of 1,2-diethyl-3H-benzo[e]indole (CID 175675424) is 1,2-diethyl-3H-benzo[e]indole.
What is the SMILES notation for 1,2-diethyl-3H-benzo[e]indole?
The canonical SMILES for 1,2-diethyl-3H-benzo[e]indole is CCc1[nH]c2ccc3ccccc3c2c1CC.
What is the InChIKey of 1,2-diethyl-3H-benzo[e]indole?
The InChIKey is DMZWUOQBBOGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-12-14(4-2)17-15-10-9-11-7-5-6-8-13(11)16(12)15/h5-10,17H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-3H-benzo[e]indole?
1,2-diethyl-3H-benzo[e]indole has a molecular weight of 223.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3H-benzo[e]indole is sourced from PubChem (CID 175675424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).