(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one

C12H10BrNO2 — CID 11369489

IUPAC(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one
SMILESCOC1=CC(=O)/C(=C(/Br)c2ccccc2)N1
InChIInChI=1S/C12H10BrNO2/c1-16-10-7-9(15)12(14-10)11(13)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-11-
InChIKeyIBNSPBSLWBISBW-QXMHVHEDSA-N
MW280.12 g/mol
LogP2.41
Rot. Bonds2

About (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one

(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one (PubChem CID 11369489) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one.

Molecular Properties

Compound Name(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one
PubChem CID11369489
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one
SMILESCOC1=CC(=O)/C(=C(/Br)c2ccccc2)N1
InChIInChI=1S/C12H10BrNO2/c1-16-10-7-9(15)12(14-10)11(13)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-11-
InChIKeyIBNSPBSLWBISBW-QXMHVHEDSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one?
The IUPAC name of (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one (CID 11369489) is (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one.
What is the SMILES notation for (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one?
The canonical SMILES for (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one is COC1=CC(=O)/C(=C(/Br)c2ccccc2)N1.
What is the InChIKey of (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one?
The InChIKey is IBNSPBSLWBISBW-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-16-10-7-9(15)12(14-10)11(13)8-5-3-2-4-6-8/h2-7,14H,1H3/b12-11-.
What are the key properties of (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one?
(2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one has a molecular weight of 280.12 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[bromo(phenyl)methylidene]-5-methoxy-1H-pyrrol-3-one is sourced from PubChem (CID 11369489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).