3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole

C14H17N — CID 45098939

IUPAC3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
SMILESCCC1(C)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H17N/c1-3-14(2)9-8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,15H,3,8-9H2,1-2H3
InChIKeyZPUOKQNBQJOGBX-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.78
Rot. Bonds1

About 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole

3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole (PubChem CID 45098939) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
PubChem CID45098939
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
SMILESCCC1(C)CCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H17N/c1-3-14(2)9-8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,15H,3,8-9H2,1-2H3
InChIKeyZPUOKQNBQJOGBX-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole?
The IUPAC name of 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole (CID 45098939) is 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole?
The canonical SMILES for 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole is CCC1(C)CCc2c1[nH]c1ccccc21.
What is the InChIKey of 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole?
The InChIKey is ZPUOKQNBQJOGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-14(2)9-8-11-10-6-4-5-7-12(10)15-13(11)14/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole?
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole has a molecular weight of 199.30 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 45098939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).