1-ethylindole;propane

C13H19N — CID 91144409

IUPAC1-ethylindole;propane
SMILESCCC.CCn1ccc2ccccc21
InChIInChI=1S/C10H11N.C3H8/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3
InChIKeyROTHRDOMCRLVOW-UHFFFAOYSA-N
MW189.30 g/mol
LogP4.08
Rot. Bonds1

About 1-ethylindole;propane

1-ethylindole;propane (PubChem CID 91144409) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-ethylindole;propane.

Molecular Properties

Compound Name1-ethylindole;propane
PubChem CID91144409
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-ethylindole;propane
SMILESCCC.CCn1ccc2ccccc21
InChIInChI=1S/C10H11N.C3H8/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3
InChIKeyROTHRDOMCRLVOW-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylindole;propane?
The IUPAC name of 1-ethylindole;propane (CID 91144409) is 1-ethylindole;propane.
What is the SMILES notation for 1-ethylindole;propane?
The canonical SMILES for 1-ethylindole;propane is CCC.CCn1ccc2ccccc21.
What is the InChIKey of 1-ethylindole;propane?
The InChIKey is ROTHRDOMCRLVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C3H8/c1-2-11-8-7-9-5-3-4-6-10(9)11;1-3-2/h3-8H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1-ethylindole;propane?
1-ethylindole;propane has a molecular weight of 189.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylindole;propane is sourced from PubChem (CID 91144409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).