[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate

C16H17NO3 — CID 7717289

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC1
InChIInChI=1S/C16H17NO3/c1-10-15(12-7-2-3-8-13(12)17-10)14(18)9-20-16(19)11-5-4-6-11/h2-3,7-8,11,17H,4-6,9H2,1H3
InChIKeyYMFVKZIMYDNXBI-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.00
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 7717289) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate
PubChem CID7717289
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC1
InChIInChI=1S/C16H17NO3/c1-10-15(12-7-2-3-8-13(12)17-10)14(18)9-20-16(19)11-5-4-6-11/h2-3,7-8,11,17H,4-6,9H2,1H3
InChIKeyYMFVKZIMYDNXBI-UHFFFAOYSA-N
XLogP3.00
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate (CID 7717289) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1CCC1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is YMFVKZIMYDNXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-15(12-7-2-3-8-13(12)17-10)14(18)9-20-16(19)11-5-4-6-11/h2-3,7-8,11,17H,4-6,9H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 7717289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).