ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate

C17H21NO3 — CID 139270847

IUPACethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCC3CCCC3)ccc2[nH]1
InChIInChI=1S/C17H21NO3/c1-2-20-17(19)16-10-13-9-14(7-8-15(13)18-16)21-11-12-5-3-4-6-12/h7-10,12,18H,2-6,11H2,1H3
InChIKeyROPXIBRVZVDESF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.91
Rot. Bonds5

About ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate

ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate (PubChem CID 139270847) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
PubChem CID139270847
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OCC3CCCC3)ccc2[nH]1
InChIInChI=1S/C17H21NO3/c1-2-20-17(19)16-10-13-9-14(7-8-15(13)18-16)21-11-12-5-3-4-6-12/h7-10,12,18H,2-6,11H2,1H3
InChIKeyROPXIBRVZVDESF-UHFFFAOYSA-N
XLogP3.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(cyclohexylmethoxy)-1H-indol-2-yl]-(1H-indol-2-yl)methanone
CID 5330542
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
CID 66841782
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
methyl 5-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-1H-indole-2-carboxylate
CID 59451360
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
cyclopropylmethyl 5-amino-1H-indole-2-carboxylate
CID 107363338
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate (CID 139270847) is ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(OCC3CCCC3)ccc2[nH]1.
What is the InChIKey of ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate?
The InChIKey is ROPXIBRVZVDESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-17(19)16-10-13-9-14(7-8-15(13)18-16)21-11-12-5-3-4-6-12/h7-10,12,18H,2-6,11H2,1H3.
What are the key properties of ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate?
ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylmethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 139270847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).