(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one

C15H11NO4 — CID 42643419

IUPAC(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C15H11NO4/c17-14(15-9-4-10-20-15)8-2-1-5-12-6-3-7-13(11-12)16(18)19/h1-11H/b5-1+,8-2+
InChIKeyKUEBAXXZCPUDRT-FBLJAGBRSA-N
MW269.26 g/mol
LogP3.64
Rot. Bonds5

About (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one

(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one (PubChem CID 42643419) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one
PubChem CID42643419
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C15H11NO4/c17-14(15-9-4-10-20-15)8-2-1-5-12-6-3-7-13(11-12)16(18)19/h1-11H/b5-1+,8-2+
InChIKeyKUEBAXXZCPUDRT-FBLJAGBRSA-N
XLogP3.64
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 3118921
(E)-3-(2-chloro-5-nitrophenyl)-1-(furan-2-yl)prop-2-en-1-one
CID 6187791
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
3-(3-nitrophenyl)prop-2-enamide
CID 692292
2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 4854450
3-(3-nitrophenyl)-1-phenylprop-2-en-1-one;dihydrobromide
CID 131882350
3-(3-nitrophenyl)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-en-1-one
CID 2776718
methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235
3-[(1E,3E)-4-(3-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 6083649
(E)-1-(5-bromo-1-benzofuran-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 7945917
(E)-3-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 122399973

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one (CID 42643419) is (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one is O=C(/C=C/C=C/c1cccc([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one?
The InChIKey is KUEBAXXZCPUDRT-FBLJAGBRSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(15-9-4-10-20-15)8-2-1-5-12-6-3-7-13(11-12)16(18)19/h1-11H/b5-1+,8-2+.
What are the key properties of (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one?
(2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one has a molecular weight of 269.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(furan-2-yl)-5-(3-nitrophenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 42643419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).