oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C19H21NO5 — CID 3239254

IUPACoxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H21NO5/c1-11-17-14(8-12(9-15(17)21)16-5-3-7-24-16)20-18(11)19(22)25-10-13-4-2-6-23-13/h3,5,7,12-13,20H,2,4,6,8-10H2,1H3
InChIKeyZHDLUAUXYMUFKZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.16
Rot. Bonds4

About oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 3239254) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID3239254
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Nameoxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H21NO5/c1-11-17-14(8-12(9-15(17)21)16-5-3-7-24-16)20-18(11)19(22)25-10-13-4-2-6-23-13/h3,5,7,12-13,20H,2,4,6,8-10H2,1H3
InChIKeyZHDLUAUXYMUFKZ-UHFFFAOYSA-N
XLogP3.16
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 3239254) is oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is ZHDLUAUXYMUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-11-17-14(8-12(9-15(17)21)16-5-3-7-24-16)20-18(11)19(22)25-10-13-4-2-6-23-13/h3,5,7,12-13,20H,2,4,6,8-10H2,1H3.
What are the key properties of oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 3239254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).