(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione

C10H8ClN3O2 — CID 89280020

IUPAC(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1cc(/C=C2\CC(=O)NC2=O)nc(Cl)n1
InChIInChI=1S/C10H8ClN3O2/c1-5-2-7(13-10(11)12-5)3-6-4-8(15)14-9(6)16/h2-3H,4H2,1H3,(H,14,15,16)/b6-3+
InChIKeyRBFMPGPHZKRLDH-ZZXKWVIFSA-N
MW237.65 g/mol
LogP0.87
Rot. Bonds1

About (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione (PubChem CID 89280020) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione
PubChem CID89280020
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1cc(/C=C2\CC(=O)NC2=O)nc(Cl)n1
InChIInChI=1S/C10H8ClN3O2/c1-5-2-7(13-10(11)12-5)3-6-4-8(15)14-9(6)16/h2-3H,4H2,1H3,(H,14,15,16)/b6-3+
InChIKeyRBFMPGPHZKRLDH-ZZXKWVIFSA-N
XLogP0.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione (CID 89280020) is (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione is Cc1cc(/C=C2\CC(=O)NC2=O)nc(Cl)n1.
What is the InChIKey of (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is RBFMPGPHZKRLDH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-5-2-7(13-10(11)12-5)3-6-4-8(15)14-9(6)16/h2-3H,4H2,1H3,(H,14,15,16)/b6-3+.
What are the key properties of (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 237.65 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-chloro-6-methylpyrimidin-4-yl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 89280020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).