(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

C19H12N2O6 — CID 19561002

IUPAC(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H12N2O6/c22-18(16-3-1-2-4-17(16)21(25)26)11-9-15-10-12-19(27-15)13-5-7-14(8-6-13)20(23)24/h1-12H/b11-9+
InChIKeyOABIPZWFQGJEFG-PKNBQFBNSA-N
MW364.31 g/mol
LogP4.66
Rot. Bonds6

About (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one

(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one (PubChem CID 19561002) has the molecular formula C19H12N2O6 and a molecular weight of 364.31 g/mol. Its IUPAC name is (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
PubChem CID19561002
Molecular FormulaC19H12N2O6
Molecular Weight364.31 g/mol
Exact Mass364.07
IUPAC Name(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H12N2O6/c22-18(16-3-1-2-4-17(16)21(25)26)11-9-15-10-12-19(27-15)13-5-7-14(8-6-13)20(23)24/h1-12H/b11-9+
InChIKeyOABIPZWFQGJEFG-PKNBQFBNSA-N
XLogP4.66
TPSA116.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
(E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19558979
(E)-1-(4-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5340118
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
(E)-1-(2-nitrophenyl)-3-[5-(phenoxymethyl)furan-2-yl]prop-2-en-1-one
CID 19562707
(E)-1-(3-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 7947265
(E)-N-(2-methylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800692
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-(2-methylphenyl)prop-2-en-1-one
CID 18209513
N-[4-[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528869
[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
CID 146306172
(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-(2-nitrophenyl)prop-2-en-1-one
CID 19562610

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one (CID 19561002) is (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
The InChIKey is OABIPZWFQGJEFG-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H12N2O6/c22-18(16-3-1-2-4-17(16)21(25)26)11-9-15-10-12-19(27-15)13-5-7-14(8-6-13)20(23)24/h1-12H/b11-9+.
What are the key properties of (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one?
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one has a molecular weight of 364.31 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 19561002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).