1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid

C14H15NO3 — CID 82278313

IUPAC1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1
InChIInChI=1S/C14H15NO3/c1-2-18-9-3-4-12-10(7-9)11(8-15-12)14(5-6-14)13(16)17/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyZADLDJDFBHZZHC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.68
Rot. Bonds4

About 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid

1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82278313) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82278313
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCOc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1
InChIInChI=1S/C14H15NO3/c1-2-18-9-3-4-12-10(7-9)11(8-15-12)14(5-6-14)13(16)17/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyZADLDJDFBHZZHC-UHFFFAOYSA-N
XLogP2.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278306
[1-(5-ethoxy-1H-indol-3-yl)cyclohexyl]methanamine
CID 95432584
N-ethyl-1-(5-methoxy-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113210822
5-ethoxy-3-methyl-1H-indole
CID 82490542
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
1-(5-methoxy-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 113210773
(2S)-2-amino-3-(5-ethoxy-1H-indol-3-yl)propanoic acid
CID 131887373
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
N-[3-(dimethylamino)propyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210743

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid (CID 82278313) is 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid is CCOc1ccc2[nH]cc(C3(C(=O)O)CC3)c2c1.
What is the InChIKey of 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZADLDJDFBHZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-9-3-4-12-10(7-9)11(8-15-12)14(5-6-14)13(16)17/h3-4,7-8,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-1H-indol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82278313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).