(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one

C11H7NO4 — CID 6041483

IUPAC(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C/c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C11H7NO4/c13-11-6-5-10(16-11)7-8-1-3-9(4-2-8)12(14)15/h1-7H/b10-7-
InChIKeyDVXNCBYAQWRFEV-YFHOEESVSA-N
MW217.18 g/mol
LogP2.05
Rot. Bonds2

About (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one

(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one (PubChem CID 6041483) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one
PubChem CID6041483
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C/c2ccc([N+](=O)[O-])cc2)O1
InChIInChI=1S/C11H7NO4/c13-11-6-5-10(16-11)7-8-1-3-9(4-2-8)12(14)15/h1-7H/b10-7-
InChIKeyDVXNCBYAQWRFEV-YFHOEESVSA-N
XLogP2.05
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one
CID 13415920
3-methyl-5-[(4-nitrophenyl)methylidene]furan-2-one
CID 131878309
(3E)-3-[(4-nitrophenyl)methylidene]-1-benzofuran-2-one
CID 14203214
(4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 5388015
(3E,7E)-3,7-bis[(4-nitrophenyl)methylidene]cycloheptane-1,2-dione
CID 6176725
(2E)-5-methyl-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 91988248
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one
CID 914574
(2Z)-2-[(4-nitrophenyl)methylidene]cyclohexan-1-one
CID 54600271
(5E)-5-[(1-methyl-5-nitroimidazol-2-yl)methylidene]furan-2-one
CID 6440004
5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 676834
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
(2E)-2-[(4-nitrophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10612862

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one (CID 6041483) is (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one is O=C1C=C/C(=C/c2ccc([N+](=O)[O-])cc2)O1.
What is the InChIKey of (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one?
The InChIKey is DVXNCBYAQWRFEV-YFHOEESVSA-N. The full InChI is InChI=1S/C11H7NO4/c13-11-6-5-10(16-11)7-8-1-3-9(4-2-8)12(14)15/h1-7H/b10-7-.
What are the key properties of (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one?
(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one has a molecular weight of 217.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one is sourced from PubChem (CID 6041483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).