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

C15H9NO5 — CID 914574

IUPAC(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one
SMILESO=C1C=C/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)O1
InChIInChI=1S/C15H9NO5/c17-15-8-6-11(21-15)9-10-5-7-14(20-10)12-3-1-2-4-13(12)16(18)19/h1-9H/b11-9-
InChIKeyFXHXEYQIZFOJAA-LUAWRHEFSA-N
MW283.24 g/mol
LogP3.31
Rot. Bonds3

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

(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one (PubChem CID 914574) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one
PubChem CID914574
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one
SMILESO=C1C=C/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)O1
InChIInChI=1S/C15H9NO5/c17-15-8-6-11(21-15)9-10-5-7-14(20-10)12-3-1-2-4-13(12)16(18)19/h1-9H/b11-9-
InChIKeyFXHXEYQIZFOJAA-LUAWRHEFSA-N
XLogP3.31
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

(4Z)-2-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 5440460
5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 3096631
5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-dioxane-4,6-dione
CID 1341220
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
2-(2-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875505
2-(4-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 2875320
(E)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enoic acid
CID 22299403
(Z)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enoic acid
CID 820959
(5Z)-2-amino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one;ethane
CID 144890918
(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126243794
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126243676
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one?
The IUPAC name of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one (CID 914574) is (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one is O=C1C=C/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)O1.
What is the InChIKey of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one?
The InChIKey is FXHXEYQIZFOJAA-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H9NO5/c17-15-8-6-11(21-15)9-10-5-7-14(20-10)12-3-1-2-4-13(12)16(18)19/h1-9H/b11-9-.
What are the key properties of (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one?
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one has a molecular weight of 283.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 914574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).