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

C17H17NO4 — CID 4714602

IUPACprop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESC=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H17NO4/c1-3-6-22-17(20)16-10(2)15-12(18-16)8-11(9-13(15)19)14-5-4-7-21-14/h3-5,7,11,18H,1,6,8-9H2,2H3
InChIKeyISSJKOPBGXJRBJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.17
Rot. Bonds4

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

prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 4714602) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID4714602
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameprop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESC=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C17H17NO4/c1-3-6-22-17(20)16-10(2)15-12(18-16)8-11(9-13(15)19)14-5-4-7-21-14/h3-5,7,11,18H,1,6,8-9H2,2H3
InChIKeyISSJKOPBGXJRBJ-UHFFFAOYSA-N
XLogP3.17
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 4714602) is prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is C=CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2.
What is the InChIKey of prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is ISSJKOPBGXJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-6-22-17(20)16-10(2)15-12(18-16)8-11(9-13(15)19)14-5-4-7-21-14/h3-5,7,11,18H,1,6,8-9H2,2H3.
What are the key properties of prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 4714602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).