ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate

C21H19NO3 — CID 4251598

IUPACethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)C2c3ccccc3CC12
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-16-12-14-10-6-7-11-15(14)17(16)20(23)22-19(18)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,22,23)
InChIKeyCHCKNYLHOROJHW-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.05
Rot. Bonds3

About ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate

ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate (PubChem CID 4251598) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate
PubChem CID4251598
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Nameethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)C2c3ccccc3CC12
InChIInChI=1S/C21H19NO3/c1-2-25-21(24)18-16-12-14-10-6-7-11-15(14)17(16)20(23)22-19(18)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,22,23)
InChIKeyCHCKNYLHOROJHW-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate (CID 4251598) is ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(=O)C2c3ccccc3CC12.
What is the InChIKey of ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate?
The InChIKey is CHCKNYLHOROJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-25-21(24)18-16-12-14-10-6-7-11-15(14)17(16)20(23)22-19(18)13-8-4-3-5-9-13/h3-11,16-17H,2,12H2,1H3,(H,22,23).
What are the key properties of ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate?
ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 4251598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).