7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide

C15H15NO4 — CID 5262767

IUPAC7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
SMILESC=CCNC(=O)c1cc2ccc(OCC)cc2oc1=O
InChIInChI=1S/C15H15NO4/c1-3-7-16-14(17)12-8-10-5-6-11(19-4-2)9-13(10)20-15(12)18/h3,5-6,8-9H,1,4,7H2,2H3,(H,16,17)
InChIKeyFRKCFBHOJXSKRG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.11
Rot. Bonds5

About 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide

7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide (PubChem CID 5262767) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide.

Molecular Properties

Compound Name7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
PubChem CID5262767
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
SMILESC=CCNC(=O)c1cc2ccc(OCC)cc2oc1=O
InChIInChI=1S/C15H15NO4/c1-3-7-16-14(17)12-8-10-5-6-11(19-4-2)9-13(10)20-15(12)18/h3,5-6,8-9H,1,4,7H2,2H3,(H,16,17)
InChIKeyFRKCFBHOJXSKRG-UHFFFAOYSA-N
XLogP2.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 4-tert-butylbenzoate
CID 19185967
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 19186469
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-(4-phenylphenoxy)acetate
CID 19187034
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910
7-ethoxy-2-oxo-N-(2-piperidin-1-ylethyl)chromene-3-carboxamide
CID 5262868
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 6-bromo-2-oxochromene-3-carboxylate
CID 19186673
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-(4-nitrophenoxy)acetate
CID 19186840
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The IUPAC name of 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide (CID 5262767) is 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide.
What is the SMILES notation for 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The canonical SMILES for 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide is C=CCNC(=O)c1cc2ccc(OCC)cc2oc1=O.
What is the InChIKey of 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
The InChIKey is FRKCFBHOJXSKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-7-16-14(17)12-8-10-5-6-11(19-4-2)9-13(10)20-15(12)18/h3,5-6,8-9H,1,4,7H2,2H3,(H,16,17).
What are the key properties of 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide?
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide is sourced from PubChem (CID 5262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).