(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione

C18H16N2O4 — CID 7710894

IUPAC(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C/C(=C/c3cccnc3)C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-6-16(24-2)15(10-14)20-17(21)9-13(18(20)22)8-12-4-3-7-19-11-12/h3-8,10-11H,9H2,1-2H3/b13-8-
InChIKeyQPIOJNRWXJOXNG-JYRVWZFOSA-N
MW324.34 g/mol
LogP2.45
Rot. Bonds4

About (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione

(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione (PubChem CID 7710894) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione
PubChem CID7710894
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)C/C(=C/c3cccnc3)C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-6-16(24-2)15(10-14)20-17(21)9-13(18(20)22)8-12-4-3-7-19-11-12/h3-8,10-11H,9H2,1-2H3/b13-8-
InChIKeyQPIOJNRWXJOXNG-JYRVWZFOSA-N
XLogP2.45
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione (CID 7710894) is (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione is COc1ccc(OC)c(N2C(=O)C/C(=C/c3cccnc3)C2=O)c1.
What is the InChIKey of (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione?
The InChIKey is QPIOJNRWXJOXNG-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-14-5-6-16(24-2)15(10-14)20-17(21)9-13(18(20)22)8-12-4-3-7-19-11-12/h3-8,10-11H,9H2,1-2H3/b13-8-.
What are the key properties of (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione?
(3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione has a molecular weight of 324.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2,5-dimethoxyphenyl)-3-(pyridin-3-ylmethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 7710894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).