4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one

C14H11NO5 — CID 10423415

IUPAC4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc([N+](=O)[O-])c2)oc(=O)c1
InChIInChI=1S/C14H11NO5/c1-19-13-8-12(20-14(16)9-13)6-5-10-3-2-4-11(7-10)15(17)18/h2-9H,1H3/b6-5+
InChIKeyOVIALWVJQXNHPR-AATRIKPKSA-N
MW273.24 g/mol
LogP2.73
Rot. Bonds4

About 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one

4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one (PubChem CID 10423415) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one
PubChem CID10423415
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one
SMILESCOc1cc(/C=C/c2cccc([N+](=O)[O-])c2)oc(=O)c1
InChIInChI=1S/C14H11NO5/c1-19-13-8-12(20-14(16)9-13)6-5-10-3-2-4-11(7-10)15(17)18/h2-9H,1H3/b6-5+
InChIKeyOVIALWVJQXNHPR-AATRIKPKSA-N
XLogP2.73
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methoxy-6-[(E)-2-(4-nitrophenyl)ethenyl]pyran-2-one
CID 158493032
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
2-[(4-methoxyphenyl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 71899687
1-(3-methoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 5105383
(8-acetyl-4-methyl-2-oxochromen-7-yl) (E)-3-(3-nitrophenyl)prop-2-enoate
CID 19172540
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-[2-[(4-methoxyphenyl)methylsulfinyl]ethenyl]-3-nitrobenzene
CID 68561557
(E)-1-[4-(4-methoxyphenyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 139061935
6-methoxy-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 67237007
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one?
The IUPAC name of 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one (CID 10423415) is 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one is COc1cc(/C=C/c2cccc([N+](=O)[O-])c2)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one?
The InChIKey is OVIALWVJQXNHPR-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11NO5/c1-19-13-8-12(20-14(16)9-13)6-5-10-3-2-4-11(7-10)15(17)18/h2-9H,1H3/b6-5+.
What are the key properties of 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one?
4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one has a molecular weight of 273.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-2-(3-nitrophenyl)ethenyl]pyran-2-one is sourced from PubChem (CID 10423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).