1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate

C17H21NO2 — CID 174951490

IUPAC1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C17H21NO2/c1-12(20-11-19)16-10-18-17-8-7-14(9-15(16)17)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3
InChIKeyDMEJVJDCYGGMHO-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.45
Rot. Bonds4

About 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate

1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate (PubChem CID 174951490) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate.

Molecular Properties

Compound Name1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
PubChem CID174951490
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate
SMILESCC(OC=O)c1c[nH]c2ccc(C3CCCCC3)cc12
InChIInChI=1S/C17H21NO2/c1-12(20-11-19)16-10-18-17-8-7-14(9-15(16)17)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3
InChIKeyDMEJVJDCYGGMHO-UHFFFAOYSA-N
XLogP4.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate?
The IUPAC name of 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate (CID 174951490) is 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate.
What is the SMILES notation for 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate?
The canonical SMILES for 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate is CC(OC=O)c1c[nH]c2ccc(C3CCCCC3)cc12.
What is the InChIKey of 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate?
The InChIKey is DMEJVJDCYGGMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(20-11-19)16-10-18-17-8-7-14(9-15(16)17)13-5-3-2-4-6-13/h7-13,18H,2-6H2,1H3.
What are the key properties of 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate?
1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate has a molecular weight of 271.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1H-indol-3-yl)ethyl formate is sourced from PubChem (CID 174951490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).