[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C19H19NO4 — CID 16524318

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO4/c1-2-23-18-16(7-4-10-20-18)19(22)24-12-17(21)15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3
InChIKeyATSCRDXEKKVJLN-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.01
Rot. Bonds6

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 16524318) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID16524318
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19NO4/c1-2-23-18-16(7-4-10-20-18)19(22)24-12-17(21)15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3
InChIKeyATSCRDXEKKVJLN-UHFFFAOYSA-N
XLogP3.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 7478089
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
CID 7485451
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416087
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31752041
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133609
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017408
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891418
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55702110
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866840
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666742
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678932

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 16524318) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is ATSCRDXEKKVJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-23-18-16(7-4-10-20-18)19(22)24-12-17(21)15-9-8-13-5-3-6-14(13)11-15/h4,7-11H,2-3,5-6,12H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 16524318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).