ethyl 2-cyclopropyl-1H-indole-5-carboxylate

C14H15NO2 — CID 155891220

IUPACethyl 2-cyclopropyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C3CC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)10-5-6-12-11(7-10)8-13(15-12)9-3-4-9/h5-9,15H,2-4H2,1H3
InChIKeySAUXXSGORREAHB-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.22
Rot. Bonds3

About ethyl 2-cyclopropyl-1H-indole-5-carboxylate

ethyl 2-cyclopropyl-1H-indole-5-carboxylate (PubChem CID 155891220) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-1H-indole-5-carboxylate
PubChem CID155891220
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 2-cyclopropyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C3CC3)cc2c1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)10-5-6-12-11(7-10)8-13(15-12)9-3-4-9/h5-9,15H,2-4H2,1H3
InChIKeySAUXXSGORREAHB-UHFFFAOYSA-N
XLogP3.22
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(5-chloro-1H-indol-2-yl)piperidine-1-carboxylate
CID 84582484
ethyl 2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indole-5-carboxylate
CID 132942639
ethyl 2-oxo-1H-quinoline-7-carboxylate
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diethyl 4-(5-bromo-1H-indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46888165
ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
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ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethyl 8-cyclopropyl-2-oxo-1H-quinoline-6-carboxylate
CID 90129630
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
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ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-1H-indole-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-1H-indole-5-carboxylate (CID 155891220) is ethyl 2-cyclopropyl-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-1H-indole-5-carboxylate is CCOC(=O)c1ccc2[nH]c(C3CC3)cc2c1.
What is the InChIKey of ethyl 2-cyclopropyl-1H-indole-5-carboxylate?
The InChIKey is SAUXXSGORREAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-17-14(16)10-5-6-12-11(7-10)8-13(15-12)9-3-4-9/h5-9,15H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-1H-indole-5-carboxylate?
ethyl 2-cyclopropyl-1H-indole-5-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-1H-indole-5-carboxylate is sourced from PubChem (CID 155891220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).