ethyl 3-propanoyl-1H-indole-5-carboxylate

C14H15NO3 — CID 170857376

IUPACethyl 3-propanoyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C(=O)CC)c2c1
InChIInChI=1S/C14H15NO3/c1-3-13(16)11-8-15-12-6-5-9(7-10(11)12)14(17)18-4-2/h5-8,15H,3-4H2,1-2H3
InChIKeyYFCBHVOMLSNUDV-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.94
Rot. Bonds4

About ethyl 3-propanoyl-1H-indole-5-carboxylate

ethyl 3-propanoyl-1H-indole-5-carboxylate (PubChem CID 170857376) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-propanoyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-propanoyl-1H-indole-5-carboxylate
PubChem CID170857376
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 3-propanoyl-1H-indole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]cc(C(=O)CC)c2c1
InChIInChI=1S/C14H15NO3/c1-3-13(16)11-8-15-12-6-5-9(7-10(11)12)14(17)18-4-2/h5-8,15H,3-4H2,1-2H3
InChIKeyYFCBHVOMLSNUDV-UHFFFAOYSA-N
XLogP2.94
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
ethyl 3-(3-methylbut-2-enoyl)-1H-indole-5-carboxylate
CID 170857381
ethyl 3-methylsulfinyl-1H-indole-5-carboxylate
CID 70624739
methyl 3-(2-ethylsulfanylacetyl)-1H-indole-5-carboxylate
CID 86802777
ethyl 3-chloro-4-propanoylbenzoate
CID 134642129
dibenzyl 1H-indole-3,5-dicarboxylate
CID 11617934
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 4-(difluoromethyl)-3-propanoylbenzoate
CID 134644741
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-(1H-indol-3-yl)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 4035704

Frequently Asked Questions

What is the IUPAC name of ethyl 3-propanoyl-1H-indole-5-carboxylate?
The IUPAC name of ethyl 3-propanoyl-1H-indole-5-carboxylate (CID 170857376) is ethyl 3-propanoyl-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 3-propanoyl-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 3-propanoyl-1H-indole-5-carboxylate is CCOC(=O)c1ccc2[nH]cc(C(=O)CC)c2c1.
What is the InChIKey of ethyl 3-propanoyl-1H-indole-5-carboxylate?
The InChIKey is YFCBHVOMLSNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-13(16)11-8-15-12-6-5-9(7-10(11)12)14(17)18-4-2/h5-8,15H,3-4H2,1-2H3.
What are the key properties of ethyl 3-propanoyl-1H-indole-5-carboxylate?
ethyl 3-propanoyl-1H-indole-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-propanoyl-1H-indole-5-carboxylate is sourced from PubChem (CID 170857376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).