ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate

C16H19NO3 — CID 117098558

IUPACethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(C(C)=O)c2cccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-20-15(19)8-9-17-10-14(12(3)18)13-7-5-6-11(2)16(13)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyYODBZTQVKWUVJS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.11
Rot. Bonds5

About ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate

ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate (PubChem CID 117098558) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
PubChem CID117098558
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate
SMILESCCOC(=O)CCn1cc(C(C)=O)c2cccc(C)c21
InChIInChI=1S/C16H19NO3/c1-4-20-15(19)8-9-17-10-14(12(3)18)13-7-5-6-11(2)16(13)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyYODBZTQVKWUVJS-UHFFFAOYSA-N
XLogP3.11
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate (CID 117098558) is ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate is CCOC(=O)CCn1cc(C(C)=O)c2cccc(C)c21.
What is the InChIKey of ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate?
The InChIKey is YODBZTQVKWUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-20-15(19)8-9-17-10-14(12(3)18)13-7-5-6-11(2)16(13)17/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate?
ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate has a molecular weight of 273.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-acetyl-7-methylindol-1-yl)propanoate is sourced from PubChem (CID 117098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).