(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one

C11H7NO4 — CID 13415920

IUPAC(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C\c2cccc([N+](=O)[O-])c2)O1
InChIInChI=1S/C11H7NO4/c13-11-5-4-10(16-11)7-8-2-1-3-9(6-8)12(14)15/h1-7H/b10-7+
InChIKeyBLIOHRAOUXXBAE-JXMROGBWSA-N
MW217.18 g/mol
LogP2.05
Rot. Bonds2

About (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one

(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one (PubChem CID 13415920) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one
PubChem CID13415920
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name(5E)-5-[(3-nitrophenyl)methylidene]furan-2-one
SMILESO=C1C=C/C(=C\c2cccc([N+](=O)[O-])c2)O1
InChIInChI=1S/C11H7NO4/c13-11-5-4-10(16-11)7-8-2-1-3-9(6-8)12(14)15/h1-7H/b10-7+
InChIKeyBLIOHRAOUXXBAE-JXMROGBWSA-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'}

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Related Compounds

(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one
CID 6041483
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
N-hydroxy-1-(3-nitrophenyl)methanimine oxide
CID 12527293
(3Z,5Z)-3,5-bis[(3-nitrophenyl)methylidene]-1,1-dioxothian-4-one
CID 118732462
2-[(3-nitrophenyl)methylidene]cycloheptane-1,3-dione
CID 21436724
(3E)-3-[(3-nitrophenyl)methylidene]-5-phenylfuran-2-one
CID 2253200
CID 175409039
CID 175409039
(4Z)-4-[(3-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5396086
(2Z)-2-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 19958941
(5E)-5-[(3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 5467828
3-[(3-nitrophenyl)methylidene]-5-propylfuran-2-one
CID 3078219

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The IUPAC name of (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one (CID 13415920) is (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The canonical SMILES for (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one is O=C1C=C/C(=C\c2cccc([N+](=O)[O-])c2)O1.
What is the InChIKey of (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one?
The InChIKey is BLIOHRAOUXXBAE-JXMROGBWSA-N. The full InChI is InChI=1S/C11H7NO4/c13-11-5-4-10(16-11)7-8-2-1-3-9(6-8)12(14)15/h1-7H/b10-7+.
What are the key properties of (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one?
(5E)-5-[(3-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 (5E)-5-[(3-nitrophenyl)methylidene]furan-2-one is sourced from PubChem (CID 13415920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).