(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C18H17NO5 — CID 728771

IUPAC(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1OC
InChIInChI=1S/C18H17NO5/c1-4-23-13-6-5-11(9-15(13)22-3)8-14-12-7-10(2)19-17(20)16(12)18(21)24-14/h5-9H,4H2,1-3H3,(H,19,20)/b14-8-
InChIKeyMFXJOTRSOMUXDA-ZSOIEALJSA-N
MW327.34 g/mol
LogP2.76
Rot. Bonds4

About (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 728771) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID728771
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1OC
InChIInChI=1S/C18H17NO5/c1-4-23-13-6-5-11(9-15(13)22-3)8-14-12-7-10(2)19-17(20)16(12)18(21)24-14/h5-9H,4H2,1-3H3,(H,19,20)/b14-8-
InChIKeyMFXJOTRSOMUXDA-ZSOIEALJSA-N
XLogP2.76
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione with MolForge

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Related Compounds

CID 72715369
CID 72715369
CID 72715372
CID 72715372
CID 118732562
CID 118732562
CID 731221
CID 731221
CID 16728062
CID 16728062
CID 118732564
CID 118732564
CID 118732565
CID 118732565
CID 155537744
CID 155537744
CID 5723534
CID 5723534
CID 5331583
CID 5331583
CID 16728064
CID 16728064
CID 5370182
CID 5370182

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 728771) is (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is CCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1OC.
What is the InChIKey of (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is MFXJOTRSOMUXDA-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H17NO5/c1-4-23-13-6-5-11(9-15(13)22-3)8-14-12-7-10(2)19-17(20)16(12)18(21)24-14/h5-9H,4H2,1-3H3,(H,19,20)/b14-8-.
What are the key properties of (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 327.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 728771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).