8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol

C17H19NO6 — CID 164600760

IUPAC8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
SMILESC=Cc1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12.CO
InChIInChI=1S/C16H15NO5.CH4O/c1-2-10-7-11(16(19)20)8-12-13(18)9-14(22-15(10)12)17-3-5-21-6-4-17;1-2/h2,7-9H,1,3-6H2,(H,19,20);2H,1H3
InChIKeyKHSFZEUXMLPMLI-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.58
Rot. Bonds3

About 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol

8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol (PubChem CID 164600760) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol.

Molecular Properties

Compound Name8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
PubChem CID164600760
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol
SMILESC=Cc1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12.CO
InChIInChI=1S/C16H15NO5.CH4O/c1-2-10-7-11(16(19)20)8-12-13(18)9-14(22-15(10)12)17-3-5-21-6-4-17;1-2/h2,7-9H,1,3-6H2,(H,19,20);2H,1H3
InChIKeyKHSFZEUXMLPMLI-UHFFFAOYSA-N
XLogP1.58
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
2-(4,4-dimethylpiperidin-1-yl)-8-ethenyl-6-methylchromen-4-one
CID 175870289
8-bromo-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 86672414
8-(4-acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
8-(1-bromoethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 160531552
8-[1-(3-chloro-4-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58235047
(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
CID 21460188
methyl 2-morpholin-4-yl-4-oxo-8-(1H-pyrrol-2-yl)chromene-6-carboxylate
CID 174712994
8-(3-acetyl-5-bromophenyl)-2-morpholin-4-ylchromen-4-one
CID 172621521
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
8-(3-hydroxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11609490

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol?
The IUPAC name of 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol (CID 164600760) is 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol.
What is the SMILES notation for 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol?
The canonical SMILES for 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol is C=Cc1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12.CO.
What is the InChIKey of 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol?
The InChIKey is KHSFZEUXMLPMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5.CH4O/c1-2-10-7-11(16(19)20)8-12-13(18)9-14(22-15(10)12)17-3-5-21-6-4-17;1-2/h2,7-9H,1,3-6H2,(H,19,20);2H,1H3.
What are the key properties of 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol?
8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol has a molecular weight of 333.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid;methanol is sourced from PubChem (CID 164600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).