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

C21H15N3O3 — CID 10108972

IUPAC1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESO=C1Nc2cc(-c3cccnc3)ccc2/C1=C/c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C21H15N3O3/c25-20-16(9-18-15-5-7-27-21(26)17(15)11-23-18)14-4-3-12(8-19(14)24-20)13-2-1-6-22-10-13/h1-4,6,8-11,23H,5,7H2,(H,24,25)/b16-9-
InChIKeyRBPMRWMZBVTXAH-SXGWCWSVSA-N
MW357.37 g/mol
LogP3.28
Rot. Bonds2

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

1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (PubChem CID 10108972) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
PubChem CID10108972
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESO=C1Nc2cc(-c3cccnc3)ccc2/C1=C/c1[nH]cc2c1CCOC2=O
InChIInChI=1S/C21H15N3O3/c25-20-16(9-18-15-5-7-27-21(26)17(15)11-23-18)14-4-3-12(8-19(14)24-20)13-2-1-6-22-10-13/h1-4,6,8-11,23H,5,7H2,(H,24,25)/b16-9-
InChIKeyRBPMRWMZBVTXAH-SXGWCWSVSA-N
XLogP3.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.28
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)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The IUPAC name of 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (CID 10108972) is 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.
What is the SMILES notation for 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The canonical SMILES for 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is O=C1Nc2cc(-c3cccnc3)ccc2/C1=C/c1[nH]cc2c1CCOC2=O.
What is the InChIKey of 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The InChIKey is RBPMRWMZBVTXAH-SXGWCWSVSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20-16(9-18-15-5-7-27-21(26)17(15)11-23-18)14-4-3-12(8-19(14)24-20)13-2-1-6-22-10-13/h1-4,6,8-11,23H,5,7H2,(H,24,25)/b16-9-.
What are the key properties of 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one has a molecular weight of 357.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2-oxo-6-pyridin-3-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is sourced from PubChem (CID 10108972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).