ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate

C15H19NO4 — CID 11391771

IUPACethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C15H19NO4/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyGYALGORZLQLXNT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.29
Rot. Bonds4

About ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate

ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate (PubChem CID 11391771) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate
PubChem CID11391771
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate
SMILESCCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C15H19NO4/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17)
InChIKeyGYALGORZLQLXNT-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate?
The IUPAC name of ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate (CID 11391771) is ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate is CCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1.
What is the InChIKey of ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate?
The InChIKey is GYALGORZLQLXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate?
ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate has a molecular weight of 277.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate is sourced from PubChem (CID 11391771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).