ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate

C16H17NO3 — CID 164809743

IUPACethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C3=CCOCC3)ccc2[nH]1
InChIInChI=1S/C16H17NO3/c1-2-20-16(18)15-10-13-9-12(3-4-14(13)17-15)11-5-7-19-8-6-11/h3-5,9-10,17H,2,6-8H2,1H3
InChIKeyCMQYHUFXFQJLLN-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds3

About ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate

ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate (PubChem CID 164809743) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
PubChem CID164809743
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C3=CCOCC3)ccc2[nH]1
InChIInChI=1S/C16H17NO3/c1-2-20-16(18)15-10-13-9-12(3-4-14(13)17-15)11-5-7-19-8-6-11/h3-5,9-10,17H,2,6-8H2,1H3
InChIKeyCMQYHUFXFQJLLN-UHFFFAOYSA-N
XLogP3.15
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(4-cyanophenyl)-1H-indole-2-carboxylate
CID 68700480
ethyl 5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indole-2-carboxylate
CID 175663731
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
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ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
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ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
ethyl 5-[3-(1-adamantyl)-4-hydroxyphenyl]-1H-indole-2-carboxylate
CID 22134803
ethyl 5-(2-amino-4-bromo-3-carbamoylphenyl)-1H-indole-2-carboxylate
CID 175498117
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate (CID 164809743) is ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C3=CCOCC3)ccc2[nH]1.
What is the InChIKey of ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate?
The InChIKey is CMQYHUFXFQJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(18)15-10-13-9-12(3-4-14(13)17-15)11-5-7-19-8-6-11/h3-5,9-10,17H,2,6-8H2,1H3.
What are the key properties of ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate?
ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,6-dihydro-2H-pyran-4-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 164809743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).