4,5-diethyl-2-prop-1-en-2-yl-1H-indole

C15H19N — CID 166890019

IUPAC4,5-diethyl-2-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1cc2c(CC)c(CC)ccc2[nH]1
InChIInChI=1S/C15H19N/c1-5-11-7-8-14-13(12(11)6-2)9-15(16-14)10(3)4/h7-9,16H,3,5-6H2,1-2,4H3
InChIKeyRVMOHRCLSOQPCG-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.33
Rot. Bonds3

About 4,5-diethyl-2-prop-1-en-2-yl-1H-indole

4,5-diethyl-2-prop-1-en-2-yl-1H-indole (PubChem CID 166890019) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 4,5-diethyl-2-prop-1-en-2-yl-1H-indole.

Molecular Properties

Compound Name4,5-diethyl-2-prop-1-en-2-yl-1H-indole
PubChem CID166890019
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name4,5-diethyl-2-prop-1-en-2-yl-1H-indole
SMILESC=C(C)c1cc2c(CC)c(CC)ccc2[nH]1
InChIInChI=1S/C15H19N/c1-5-11-7-8-14-13(12(11)6-2)9-15(16-14)10(3)4/h7-9,16H,3,5-6H2,1-2,4H3
InChIKeyRVMOHRCLSOQPCG-UHFFFAOYSA-N
XLogP4.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-prop-1-en-2-yl-1H-indole?
The IUPAC name of 4,5-diethyl-2-prop-1-en-2-yl-1H-indole (CID 166890019) is 4,5-diethyl-2-prop-1-en-2-yl-1H-indole.
What is the SMILES notation for 4,5-diethyl-2-prop-1-en-2-yl-1H-indole?
The canonical SMILES for 4,5-diethyl-2-prop-1-en-2-yl-1H-indole is C=C(C)c1cc2c(CC)c(CC)ccc2[nH]1.
What is the InChIKey of 4,5-diethyl-2-prop-1-en-2-yl-1H-indole?
The InChIKey is RVMOHRCLSOQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-5-11-7-8-14-13(12(11)6-2)9-15(16-14)10(3)4/h7-9,16H,3,5-6H2,1-2,4H3.
What are the key properties of 4,5-diethyl-2-prop-1-en-2-yl-1H-indole?
4,5-diethyl-2-prop-1-en-2-yl-1H-indole has a molecular weight of 213.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-prop-1-en-2-yl-1H-indole is sourced from PubChem (CID 166890019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).