ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate

C20H19NO5 — CID 102336751

IUPACethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)OCC([N+](=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO5/c1-2-25-20(22)18-17(14-9-5-3-6-10-14)16(21(23)24)13-26-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16?,17-/m0/s1
InChIKeyNCNUGJIOOSBUSE-DJNXLDHESA-N
MW353.37 g/mol
LogP3.42
Rot. Bonds5

About ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate

ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 102336751) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID102336751
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)OCC([N+](=O)[O-])[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO5/c1-2-25-20(22)18-17(14-9-5-3-6-10-14)16(21(23)24)13-26-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16?,17-/m0/s1
InChIKeyNCNUGJIOOSBUSE-DJNXLDHESA-N
XLogP3.42
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate (CID 102336751) is ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)OCC([N+](=O)[O-])[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is NCNUGJIOOSBUSE-DJNXLDHESA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-25-20(22)18-17(14-9-5-3-6-10-14)16(21(23)24)13-26-19(18)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16?,17-/m0/s1.
What are the key properties of ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate?
ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 102336751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).