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

C18H17NO4 — CID 14857375

IUPACmethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2
InChIInChI=1S/C18H17NO4/c1-18(2)10-14(12-5-4-8-19-16(12)20)13-9-11(17(21)22-3)6-7-15(13)23-18/h4-10H,1-3H3,(H,19,20)
InChIKeyUIEVFGCCMKKJAG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.76
Rot. Bonds2

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

methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate (PubChem CID 14857375) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
PubChem CID14857375
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2
InChIInChI=1S/C18H17NO4/c1-18(2)10-14(12-5-4-8-19-16(12)20)13-9-11(17(21)22-3)6-7-15(13)23-18/h4-10H,1-3H3,(H,19,20)
InChIKeyUIEVFGCCMKKJAG-UHFFFAOYSA-N
XLogP2.76
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate (CID 14857375) is methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2.
What is the InChIKey of methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
The InChIKey is UIEVFGCCMKKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-18(2)10-14(12-5-4-8-19-16(12)20)13-9-11(17(21)22-3)6-7-15(13)23-18/h4-10H,1-3H3,(H,19,20).
What are the key properties of methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate?
methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)chromene-6-carboxylate is sourced from PubChem (CID 14857375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).