1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one

C17H14N2O4 — CID 5331093

IUPAC1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
InChIKeyXJGFIPURTFEPNE-GHXNOFRVSA-N
MW310.31 g/mol
LogP2.23
Rot. Bonds2

About 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one

1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (PubChem CID 5331093) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
PubChem CID5331093
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
InChIKeyXJGFIPURTFEPNE-GHXNOFRVSA-N
XLogP2.23
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The IUPAC name of 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (CID 5331093) is 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.
What is the SMILES notation for 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The canonical SMILES for 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is COc1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc2c1CCOC2=O.
What is the InChIKey of 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The InChIKey is XJGFIPURTFEPNE-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-.
What are the key properties of 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one has a molecular weight of 310.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(6-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is sourced from PubChem (CID 5331093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).