(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran

C15H11NO3 — CID 15194332

IUPAC(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
SMILESO=[N+]([O-])c1ccccc1/C=C1\OCc2ccccc21
InChIInChI=1S/C15H11NO3/c17-16(18)14-8-4-2-5-11(14)9-15-13-7-3-1-6-12(13)10-19-15/h1-9H,10H2/b15-9-
InChIKeyULNFCRJNORFBAY-DHDCSXOGSA-N
MW253.26 g/mol
LogP3.62
Rot. Bonds2

About (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran

(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran (PubChem CID 15194332) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
PubChem CID15194332
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
SMILESO=[N+]([O-])c1ccccc1/C=C1\OCc2ccccc21
InChIInChI=1S/C15H11NO3/c17-16(18)14-8-4-2-5-11(14)9-15-13-7-3-1-6-12(13)10-19-15/h1-9H,10H2/b15-9-
InChIKeyULNFCRJNORFBAY-DHDCSXOGSA-N
XLogP3.62
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-nitrophenyl)methylidene]chromen-4-one
CID 2449547
2-[(2-nitrophenyl)methylidene]indene-1,3-dione
CID 616194
(3Z)-3-[(2-nitrophenyl)methylidene]benzo[g][1,4]benzodioxine
CID 10639320
10-[(2-nitrophenyl)methylidene]anthracen-9-one
CID 23740719
(3Z,5E)-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one
CID 89154568
2,6-bis[(2-nitrophenyl)methylidene]cyclohexan-1-one
CID 577023
(3E)-3-[(3-chlorophenyl)methylidene]-1H-2-benzofuran
CID 134982021
(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
CID 53384058
sodium 2-nitrobenzaldehyde
CID 23669302
(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 24506556
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
(2E)-4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
CID 15618567

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran?
The IUPAC name of (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran (CID 15194332) is (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran is O=[N+]([O-])c1ccccc1/C=C1\OCc2ccccc21.
What is the InChIKey of (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran?
The InChIKey is ULNFCRJNORFBAY-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H11NO3/c17-16(18)14-8-4-2-5-11(14)9-15-13-7-3-1-6-12(13)10-19-15/h1-9H,10H2/b15-9-.
What are the key properties of (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran?
(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran has a molecular weight of 253.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran is sourced from PubChem (CID 15194332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).