ethyl 6-pentan-2-yl-1H-indole-5-carboxylate

C16H21NO2 — CID 135224226

IUPACethyl 6-pentan-2-yl-1H-indole-5-carboxylate
SMILESCCCC(C)c1cc2[nH]ccc2cc1C(=O)OCC
InChIInChI=1S/C16H21NO2/c1-4-6-11(3)13-10-15-12(7-8-17-15)9-14(13)16(18)19-5-2/h7-11,17H,4-6H2,1-3H3
InChIKeyVRMJGGREYPBWDS-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.25
Rot. Bonds5

About ethyl 6-pentan-2-yl-1H-indole-5-carboxylate

ethyl 6-pentan-2-yl-1H-indole-5-carboxylate (PubChem CID 135224226) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 6-pentan-2-yl-1H-indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-pentan-2-yl-1H-indole-5-carboxylate
PubChem CID135224226
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl 6-pentan-2-yl-1H-indole-5-carboxylate
SMILESCCCC(C)c1cc2[nH]ccc2cc1C(=O)OCC
InChIInChI=1S/C16H21NO2/c1-4-6-11(3)13-10-15-12(7-8-17-15)9-14(13)16(18)19-5-2/h7-11,17H,4-6H2,1-3H3
InChIKeyVRMJGGREYPBWDS-UHFFFAOYSA-N
XLogP4.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
CID 70102427
ethyl 6-amino-1H-indole-4-carboxylate
CID 53435938
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
CID 67059870
2-(1H-indol-5-yloxycarbonyl)pentanoic acid
CID 130275684
1-bromobutyl 1H-indole-5-carboxylate
CID 70108962
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901650
ethyl 4-(iodomethyl)-1H-indole-5-carboxylate
CID 89343822
(6-hexanoyloxy-1H-indol-5-yl) hexanoate
CID 19890464
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468

Frequently Asked Questions

What is the IUPAC name of ethyl 6-pentan-2-yl-1H-indole-5-carboxylate?
The IUPAC name of ethyl 6-pentan-2-yl-1H-indole-5-carboxylate (CID 135224226) is ethyl 6-pentan-2-yl-1H-indole-5-carboxylate.
What is the SMILES notation for ethyl 6-pentan-2-yl-1H-indole-5-carboxylate?
The canonical SMILES for ethyl 6-pentan-2-yl-1H-indole-5-carboxylate is CCCC(C)c1cc2[nH]ccc2cc1C(=O)OCC.
What is the InChIKey of ethyl 6-pentan-2-yl-1H-indole-5-carboxylate?
The InChIKey is VRMJGGREYPBWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-6-11(3)13-10-15-12(7-8-17-15)9-14(13)16(18)19-5-2/h7-11,17H,4-6H2,1-3H3.
What are the key properties of ethyl 6-pentan-2-yl-1H-indole-5-carboxylate?
ethyl 6-pentan-2-yl-1H-indole-5-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pentan-2-yl-1H-indole-5-carboxylate is sourced from PubChem (CID 135224226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).