ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate

C22H27NO4 — CID 102516004

IUPACethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)CC1CCCC=C1c1[nH]c2ccccc2c1CCOC(C)=O
InChIInChI=1S/C22H27NO4/c1-3-26-21(25)14-16-8-4-5-9-17(16)22-19(12-13-27-15(2)24)18-10-6-7-11-20(18)23-22/h6-7,9-11,16,23H,3-5,8,12-14H2,1-2H3
InChIKeyVPEDPAGGGLGFKI-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.41
Rot. Bonds7

About ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate

ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate (PubChem CID 102516004) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate
PubChem CID102516004
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate
SMILESCCOC(=O)CC1CCCC=C1c1[nH]c2ccccc2c1CCOC(C)=O
InChIInChI=1S/C22H27NO4/c1-3-26-21(25)14-16-8-4-5-9-17(16)22-19(12-13-27-15(2)24)18-10-6-7-11-20(18)23-22/h6-7,9-11,16,23H,3-5,8,12-14H2,1-2H3
InChIKeyVPEDPAGGGLGFKI-UHFFFAOYSA-N
XLogP4.41
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate (CID 102516004) is ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate is CCOC(=O)CC1CCCC=C1c1[nH]c2ccccc2c1CCOC(C)=O.
What is the InChIKey of ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate?
The InChIKey is VPEDPAGGGLGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-26-21(25)14-16-8-4-5-9-17(16)22-19(12-13-27-15(2)24)18-10-6-7-11-20(18)23-22/h6-7,9-11,16,23H,3-5,8,12-14H2,1-2H3.
What are the key properties of ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate?
ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate has a molecular weight of 369.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(2-acetyloxyethyl)-1H-indol-2-yl]cyclohex-2-en-1-yl]acetate is sourced from PubChem (CID 102516004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).