1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione

C10H8N2O2 — CID 107585791

IUPAC1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione
SMILESCc1cncc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C10H8N2O2/c1-7-4-8(6-11-5-7)12-9(13)2-3-10(12)14/h2-6H,1H3
InChIKeyRTZYRTGAHCTTBQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.82
Rot. Bonds1

About 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione

1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione (PubChem CID 107585791) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione
PubChem CID107585791
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione
SMILESCc1cncc(N2C(=O)C=CC2=O)c1
InChIInChI=1S/C10H8N2O2/c1-7-4-8(6-11-5-7)12-9(13)2-3-10(12)14/h2-6H,1H3
InChIKeyRTZYRTGAHCTTBQ-UHFFFAOYSA-N
XLogP0.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174996178
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2-[5-bromo-4-(1,3-dihydroisoindol-2-yl)-1-(5-methyl-3-pyridinyl)-2,6-dioxo-3H-pyridin-3-yl]acetonitrile
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1-(5-methyl-3-pyridinyl)azetidine-3-carboxamide
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4-methyl-1-(5-methyl-3-pyridinyl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
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3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116
4-methyl-1-(5-methyl-3-pyridinyl)pyrazol-3-amine
CID 115375127
2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one
CID 90115770
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CID 107587018

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione (CID 107585791) is 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione is Cc1cncc(N2C(=O)C=CC2=O)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione?
The InChIKey is RTZYRTGAHCTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-4-8(6-11-5-7)12-9(13)2-3-10(12)14/h2-6H,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione?
1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione has a molecular weight of 188.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 107585791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).