[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate

C13H13NO4 — CID 8742887

IUPAC[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCNC(=O)COC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C13H13NO4/c1-14-12(15)8-18-13(16)10-6-9-4-2-3-5-11(9)17-7-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyRZWKHKSCJMTUMZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.75
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate

[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8742887) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8742887
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCNC(=O)COC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C13H13NO4/c1-14-12(15)8-18-13(16)10-6-9-4-2-3-5-11(9)17-7-10/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyRZWKHKSCJMTUMZ-UHFFFAOYSA-N
XLogP0.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2H-chromene-3-carboxylate
CID 8748961
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747153
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8742887) is [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is CNC(=O)COC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is RZWKHKSCJMTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-14-12(15)8-18-13(16)10-6-9-4-2-3-5-11(9)17-7-10/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8742887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).