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

C14H13NO3 — CID 665108

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NO3/c16-13(8-18-14(17)9-5-6-9)11-7-15-12-4-2-1-3-10(11)12/h1-4,7,9,15H,5-6,8H2
InChIKeySXVZCFLGVBYPBB-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.30
Rot. Bonds4

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

[2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 665108) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID665108
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H13NO3/c16-13(8-18-14(17)9-5-6-9)11-7-15-12-4-2-1-3-10(11)12/h1-4,7,9,15H,5-6,8H2
InChIKeySXVZCFLGVBYPBB-UHFFFAOYSA-N
XLogP2.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate (CID 665108) is [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SXVZCFLGVBYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13(8-18-14(17)9-5-6-9)11-7-15-12-4-2-1-3-10(11)12/h1-4,7,9,15H,5-6,8H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 243.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 665108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).