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

C17H14N2O3 — CID 5331090

IUPAC1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESCc1cccc2c1/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
InChIKeyCTDIFTBJDVQHSA-XFFZJAGNSA-N
MW294.31 g/mol
LogP2.53
Rot. Bonds1

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

1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (PubChem CID 5331090) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
PubChem CID5331090
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one
SMILESCc1cccc2c1/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
InChIKeyCTDIFTBJDVQHSA-XFFZJAGNSA-N
XLogP2.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The IUPAC name of 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one (CID 5331090) is 1-[(Z)-(4-methyl-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)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The canonical SMILES for 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is Cc1cccc2c1/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2.
What is the InChIKey of 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
The InChIKey is CTDIFTBJDVQHSA-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-.
What are the key properties of 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one?
1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-4-one is sourced from PubChem (CID 5331090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).