methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate

C18H17NO5 — CID 14511159

IUPACmethyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)C(=O)C(C)(C)O2
InChIInChI=1S/C18H17NO5/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(22)23-3)7-8-13(12)24-18/h4-10,15H,1-3H3
InChIKeyACFKCOHSTUTAAK-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.96
Rot. Bonds2

About methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate

methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate (PubChem CID 14511159) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
PubChem CID14511159
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namemethyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccccc1=O)C(=O)C(C)(C)O2
InChIInChI=1S/C18H17NO5/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(22)23-3)7-8-13(12)24-18/h4-10,15H,1-3H3
InChIKeyACFKCOHSTUTAAK-UHFFFAOYSA-N
XLogP1.96
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl] acetate
CID 15925507
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 14182559
3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbothioamide
CID 14182637
1-[3-hydroxy-2,2-dimethyl-6-(3,4,5-trifluoro-2-methylbenzoyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
CID 88527769
methyl (1S,9S)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386353
N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
CID 22122746
methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
CID 57242305
methyl (1S,9R)-10-(4-methoxycarbonylphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 51017554
methyl (1S,9R)-10-(3-chlorophenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 51021118
methyl 10-(3-methoxyphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 16823408
ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate;methyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 160563226

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate (CID 14511159) is methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(n1ccccc1=O)C(=O)C(C)(C)O2.
What is the InChIKey of methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate?
The InChIKey is ACFKCOHSTUTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(22)23-3)7-8-13(12)24-18/h4-10,15H,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate?
methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate is sourced from PubChem (CID 14511159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).