ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate

C15H17NO5 — CID 66600528

IUPACethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(OC)cc(N(C)C)cc2o1
InChIInChI=1S/C15H17NO5/c1-5-20-15(18)13-8-10(17)14-11(19-4)6-9(16(2)3)7-12(14)21-13/h6-8H,5H2,1-4H3
InChIKeyGRADBIVOSAPFDP-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.04
Rot. Bonds4

About ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate

ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate (PubChem CID 66600528) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate
PubChem CID66600528
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(OC)cc(N(C)C)cc2o1
InChIInChI=1S/C15H17NO5/c1-5-20-15(18)13-8-10(17)14-11(19-4)6-9(16(2)3)7-12(14)21-13/h6-8H,5H2,1-4H3
InChIKeyGRADBIVOSAPFDP-UHFFFAOYSA-N
XLogP2.04
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate (CID 66600528) is ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2c(OC)cc(N(C)C)cc2o1.
What is the InChIKey of ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate?
The InChIKey is GRADBIVOSAPFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-5-20-15(18)13-8-10(17)14-11(19-4)6-9(16(2)3)7-12(14)21-13/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate?
ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate is sourced from PubChem (CID 66600528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).