3-(5-nitrofuran-2-yl)prop-2-enoate

C7H4NO5- — CID 3423261

IUPAC3-(5-nitrofuran-2-yl)prop-2-enoate
SMILESO=C([O-])C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/p-1
InChIKeyLWOWNIPZHGWKNR-UHFFFAOYSA-M
MW182.11 g/mol
LogP-0.05
Rot. Bonds3

About 3-(5-nitrofuran-2-yl)prop-2-enoate

3-(5-nitrofuran-2-yl)prop-2-enoate (PubChem CID 3423261) has the molecular formula C7H4NO5- and a molecular weight of 182.11 g/mol. Its IUPAC name is 3-(5-nitrofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name3-(5-nitrofuran-2-yl)prop-2-enoate
PubChem CID3423261
Molecular FormulaC7H4NO5-
Molecular Weight182.11 g/mol
Exact Mass182.01
IUPAC Name3-(5-nitrofuran-2-yl)prop-2-enoate
SMILESO=C([O-])C=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/p-1
InChIKeyLWOWNIPZHGWKNR-UHFFFAOYSA-M
XLogP-0.05
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 5-0.05
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

2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
(E)-9-amino-1-(5-nitrofuran-2-yl)non-1-en-3-one
CID 11219323
(E)-3-(5-nitrofuran-2-yl)-1-piperazin-1-ylprop-2-en-1-one
CID 70591698
(E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 5356520
(E)-1-(4-methoxyphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 9067378
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
cyclohexyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 45051477
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 6934520
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
(E)-N-[(4-methylphenyl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9085952

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitrofuran-2-yl)prop-2-enoate?
The IUPAC name of 3-(5-nitrofuran-2-yl)prop-2-enoate (CID 3423261) is 3-(5-nitrofuran-2-yl)prop-2-enoate.
What is the SMILES notation for 3-(5-nitrofuran-2-yl)prop-2-enoate?
The canonical SMILES for 3-(5-nitrofuran-2-yl)prop-2-enoate is O=C([O-])C=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-(5-nitrofuran-2-yl)prop-2-enoate?
The InChIKey is LWOWNIPZHGWKNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/p-1.
What are the key properties of 3-(5-nitrofuran-2-yl)prop-2-enoate?
3-(5-nitrofuran-2-yl)prop-2-enoate has a molecular weight of 182.11 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitrofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 3423261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).