ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

C15H13NO5 — CID 6270175

IUPACethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H13NO5/c1-2-20-15(17)9-7-13-6-8-14(21-13)11-4-3-5-12(10-11)16(18)19/h3-10H,2H2,1H3/b9-7+
InChIKeyGBUPYIVWDKVSPP-VQHVLOKHSA-N
MW287.27 g/mol
LogP3.43
Rot. Bonds5

About ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate

ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate (PubChem CID 6270175) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
PubChem CID6270175
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Nameethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C15H13NO5/c1-2-20-15(17)9-7-13-6-8-14(21-13)11-4-3-5-12(10-11)16(18)19/h3-10H,2H2,1H3/b9-7+
InChIKeyGBUPYIVWDKVSPP-VQHVLOKHSA-N
XLogP3.43
TPSA82.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl (E)-3-[5-(4-methoxy-3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 91675688
ethyl (2Z)-2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3-oxobutanoate
CID 2302870
ethyl (E)-3-[5-(4-bromo-3-methylphenyl)furan-2-yl]prop-2-enoate
CID 91675625
1-(3,4-dimethoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 2914905
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
ethyl 3-(5-nitro-1-benzofuran-2-yl)prop-2-enoate
CID 54101415
ethyl 3-[5-(2-nitroethenyl)furan-2-yl]benzoate
CID 897550
ethyl N-[[5-(3-nitrophenyl)furan-2-yl]methyl]carbamate
CID 57172800
ethyl (E)-3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
CID 87239785
diethyl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 1345915
[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 97032878
(3-nitrophenyl)methyl 3-(5-bromofuran-2-yl)prop-2-enoate
CID 3886204

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate (CID 6270175) is ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is GBUPYIVWDKVSPP-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H13NO5/c1-2-20-15(17)9-7-13-6-8-14(21-13)11-4-3-5-12(10-11)16(18)19/h3-10H,2H2,1H3/b9-7+.
What are the key properties of ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate?
ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 287.27 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 6270175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).