5-methylidene-4-(4-nitrophenyl)pyrrol-2-one

C11H8N2O3 — CID 155511110

IUPAC5-methylidene-4-(4-nitrophenyl)pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O3/c1-7-10(6-11(14)12-7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H2,(H,12,14)
InChIKeyVALPKMWKAXOILX-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.62
Rot. Bonds2

About 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one

5-methylidene-4-(4-nitrophenyl)pyrrol-2-one (PubChem CID 155511110) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one.

Molecular Properties

Compound Name5-methylidene-4-(4-nitrophenyl)pyrrol-2-one
PubChem CID155511110
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name5-methylidene-4-(4-nitrophenyl)pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H8N2O3/c1-7-10(6-11(14)12-7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H2,(H,12,14)
InChIKeyVALPKMWKAXOILX-UHFFFAOYSA-N
XLogP1.62
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one?
The IUPAC name of 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one (CID 155511110) is 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one.
What is the SMILES notation for 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one?
The canonical SMILES for 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one is C=C1NC(=O)C=C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one?
The InChIKey is VALPKMWKAXOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-7-10(6-11(14)12-7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H2,(H,12,14).
What are the key properties of 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one?
5-methylidene-4-(4-nitrophenyl)pyrrol-2-one has a molecular weight of 216.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-(4-nitrophenyl)pyrrol-2-one is sourced from PubChem (CID 155511110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).