(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate

C16H11NO5 — CID 174983557

IUPAC(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
SMILESO=C=C(OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H11NO5/c18-11-15(12-6-2-1-3-7-12)22-16(19)10-13-8-4-5-9-14(13)17(20)21/h1-9H,10H2
InChIKeyGOVBOGRVRGDRPA-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.55
Rot. Bonds5

About (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate

(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate (PubChem CID 174983557) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
PubChem CID174983557
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
SMILESO=C=C(OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H11NO5/c18-11-15(12-6-2-1-3-7-12)22-16(19)10-13-8-4-5-9-14(13)17(20)21/h1-9H,10H2
InChIKeyGOVBOGRVRGDRPA-UHFFFAOYSA-N
XLogP2.55
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', '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

2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
methyl 2-(2-nitrophenyl)acetate
CID 520464
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
CID 7832953
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
1,2-bis(2-nitrophenyl)ethanone
CID 2750227

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate?
The IUPAC name of (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate (CID 174983557) is (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate.
What is the SMILES notation for (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate?
The canonical SMILES for (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate is O=C=C(OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate?
The InChIKey is GOVBOGRVRGDRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-11-15(12-6-2-1-3-7-12)22-16(19)10-13-8-4-5-9-14(13)17(20)21/h1-9H,10H2.
What are the key properties of (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate?
(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate has a molecular weight of 297.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 174983557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).