1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one

C17H15N3O3 — CID 5331095

IUPAC1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESCOc1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2
InChIInChI=1S/C17H15N3O3/c1-23-9-2-3-14-11(6-9)12(17(22)20-14)7-15-10-4-5-18-16(21)13(10)8-19-15/h2-3,6-8,19H,4-5H2,1H3,(H,18,21)(H,20,22)/b12-7-
InChIKeyYMLCUQPWYZHIPJ-GHXNOFRVSA-N
MW309.33 g/mol
LogP1.80
Rot. Bonds2

About 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one

1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 5331095) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID5331095
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one
SMILESCOc1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2
InChIInChI=1S/C17H15N3O3/c1-23-9-2-3-14-11(6-9)12(17(22)20-14)7-15-10-4-5-18-16(21)13(10)8-19-15/h2-3,6-8,19H,4-5H2,1H3,(H,18,21)(H,20,22)/b12-7-
InChIKeyYMLCUQPWYZHIPJ-GHXNOFRVSA-N
XLogP1.80
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
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)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one (CID 5331095) is 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one is COc1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2.
What is the InChIKey of 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is YMLCUQPWYZHIPJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-9-2-3-14-11(6-9)12(17(22)20-14)7-15-10-4-5-18-16(21)13(10)8-19-15/h2-3,6-8,19H,4-5H2,1H3,(H,18,21)(H,20,22)/b12-7-.
What are the key properties of 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one?
1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 309.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 5331095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).