4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C21H23NO5 — CID 128962758

IUPAC4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)n(C)c(=O)c21
InChIInChI=1S/C21H23NO5/c1-12(2)11-26-20-14(7-6-8-16(20)25-5)15-10-18(23)27-17-9-13(3)22(4)21(24)19(15)17/h6-9,15H,1,10-11H2,2-5H3
InChIKeyVANZCOAKDBUPQI-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.10
Rot. Bonds5

About 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 128962758) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID128962758
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)n(C)c(=O)c21
InChIInChI=1S/C21H23NO5/c1-12(2)11-26-20-14(7-6-8-16(20)25-5)15-10-18(23)27-17-9-13(3)22(4)21(24)19(15)17/h6-9,15H,1,10-11H2,2-5H3
InChIKeyVANZCOAKDBUPQI-UHFFFAOYSA-N
XLogP3.10
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 128962758) is 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is C=C(C)COc1c(OC)cccc1C1CC(=O)Oc2cc(C)n(C)c(=O)c21.
What is the InChIKey of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is VANZCOAKDBUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-12(2)11-26-20-14(7-6-8-16(20)25-5)15-10-18(23)27-17-9-13(3)22(4)21(24)19(15)17/h6-9,15H,1,10-11H2,2-5H3.
What are the key properties of 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 369.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 128962758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).