(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one

C22H15NO4 — CID 2260903

IUPAC(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one
SMILESCc1ccc2cc(C3=C/C(=C/c4ccccc4[N+](=O)[O-])C(=O)O3)ccc2c1
InChIInChI=1S/C22H15NO4/c1-14-6-7-16-11-18(9-8-15(16)10-14)21-13-19(22(24)27-21)12-17-4-2-3-5-20(17)23(25)26/h2-13H,1H3/b19-12-
InChIKeySIJUZPZHGGYEJF-UNOMPAQXSA-N
MW357.37 g/mol
LogP5.04
Rot. Bonds3

About (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one

(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one (PubChem CID 2260903) has the molecular formula C22H15NO4 and a molecular weight of 357.37 g/mol. Its IUPAC name is (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one
PubChem CID2260903
Molecular FormulaC22H15NO4
Molecular Weight357.37 g/mol
Exact Mass357.10
IUPAC Name(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one
SMILESCc1ccc2cc(C3=C/C(=C/c4ccccc4[N+](=O)[O-])C(=O)O3)ccc2c1
InChIInChI=1S/C22H15NO4/c1-14-6-7-16-11-18(9-8-15(16)10-14)21-13-19(22(24)27-21)12-17-4-2-3-5-20(17)23(25)26/h2-13H,1H3/b19-12-
InChIKeySIJUZPZHGGYEJF-UNOMPAQXSA-N
XLogP5.04
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'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

3-[(3-methoxyphenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
CID 869164
(3E)-3-[(4-methyl-3-nitrophenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263986
(3E)-5-naphthalen-2-yl-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 155542348
(3E)-5-(2,5-dimethoxyphenyl)-3-[(2-nitrophenyl)methylidene]furan-2-one
CID 2256899
(3E)-5-(2,4-dimethoxyphenyl)-3-[(2-nitrophenyl)methylidene]furan-2-one
CID 92911971
5-(4-methylphenyl)-3-[(3-nitrophenyl)methylidene]furan-2-one
CID 867798
(3E)-5-(6-methylnaphthalen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 2261084
(3E)-3-[(2-methoxynaphthalen-1-yl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
CID 2260460
(3E)-5-(4-methylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 2258126
(3E)-5-(2,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methylidene]furan-2-one
CID 2277449
(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2263582
5-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 890303

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one (CID 2260903) is (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one is Cc1ccc2cc(C3=C/C(=C/c4ccccc4[N+](=O)[O-])C(=O)O3)ccc2c1.
What is the InChIKey of (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one?
The InChIKey is SIJUZPZHGGYEJF-UNOMPAQXSA-N. The full InChI is InChI=1S/C22H15NO4/c1-14-6-7-16-11-18(9-8-15(16)10-14)21-13-19(22(24)27-21)12-17-4-2-3-5-20(17)23(25)26/h2-13H,1H3/b19-12-.
What are the key properties of (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one?
(3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one has a molecular weight of 357.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(6-methylnaphthalen-2-yl)-3-[(2-nitrophenyl)methylidene]furan-2-one is sourced from PubChem (CID 2260903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).