ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate

C14H17NO4 — CID 22471902

IUPACethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCCOC(=O)C1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C14H17NO4/c1-3-18-14(17)13-6-4-10-8-11(15-9(2)16)5-7-12(10)19-13/h5,7-8,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyALDYBRFKPVMYFN-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds3

About ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate

ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 22471902) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID22471902
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCCOC(=O)C1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C14H17NO4/c1-3-18-14(17)13-6-4-10-8-11(15-9(2)16)5-7-12(10)19-13/h5,7-8,13H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyALDYBRFKPVMYFN-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate (CID 22471902) is ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate is CCOC(=O)C1CCc2cc(NC(C)=O)ccc2O1.
What is the InChIKey of ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is ALDYBRFKPVMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-18-14(17)13-6-4-10-8-11(15-9(2)16)5-7-12(10)19-13/h5,7-8,13H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate?
ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetamido-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 22471902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).