ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate

C15H16N2O2 — CID 976597

IUPACethyl 2-(3-cyano-7-ethylindol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C#N)c2cccc(CC)c21
InChIInChI=1S/C15H16N2O2/c1-3-11-6-5-7-13-12(8-16)9-17(15(11)13)10-14(18)19-4-2/h5-7,9H,3-4,10H2,1-2H3
InChIKeyUONSJKJACXIUNS-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate

ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate (PubChem CID 976597) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-7-ethylindol-1-yl)acetate
PubChem CID976597
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-(3-cyano-7-ethylindol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C#N)c2cccc(CC)c21
InChIInChI=1S/C15H16N2O2/c1-3-11-6-5-7-13-12(8-16)9-17(15(11)13)10-14(18)19-4-2/h5-7,9H,3-4,10H2,1-2H3
InChIKeyUONSJKJACXIUNS-UHFFFAOYSA-N
XLogP2.64
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate (CID 976597) is ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate is CCOC(=O)Cn1cc(C#N)c2cccc(CC)c21.
What is the InChIKey of ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate?
The InChIKey is UONSJKJACXIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-11-6-5-7-13-12(8-16)9-17(15(11)13)10-14(18)19-4-2/h5-7,9H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate?
ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate has a molecular weight of 256.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-7-ethylindol-1-yl)acetate is sourced from PubChem (CID 976597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).