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

C15H11NO3 — CID 155567586

IUPAC(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1
InChIInChI=1S/C15H11NO3/c1-9-7-11-12(8-10-5-3-2-4-6-10)19-15(18)13(11)14(17)16-9/h2-8H,1H3,(H,16,17)/b12-8-
InChIKeyGKDPRBSCSASNKW-WQLSENKSSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds1

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

(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 155567586) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID155567586
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1
InChIInChI=1S/C15H11NO3/c1-9-7-11-12(8-10-5-3-2-4-6-10)19-15(18)13(11)14(17)16-9/h2-8H,1H3,(H,16,17)/b12-8-
InChIKeyGKDPRBSCSASNKW-WQLSENKSSA-N
XLogP2.35
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 155567586) is (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccccc1.
What is the InChIKey of (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is GKDPRBSCSASNKW-WQLSENKSSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-7-11-12(8-10-5-3-2-4-6-10)19-15(18)13(11)14(17)16-9/h2-8H,1H3,(H,16,17)/b12-8-.
What are the key properties of (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 253.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155567586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).