1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine

C11H14N2O3 — CID 71404922

IUPAC1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
SMILESO=[N+]([O-])c1ccc(C=CN2CCCCC2)o1
InChIInChI=1S/C11H14N2O3/c14-13(15)11-5-4-10(16-11)6-9-12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
InChIKeyMWQLQWFDFNQTHI-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine

1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine (PubChem CID 71404922) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine.

Molecular Properties

Compound Name1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
PubChem CID71404922
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine
SMILESO=[N+]([O-])c1ccc(C=CN2CCCCC2)o1
InChIInChI=1S/C11H14N2O3/c14-13(15)11-5-4-10(16-11)6-9-12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
InChIKeyMWQLQWFDFNQTHI-UHFFFAOYSA-N
XLogP2.64
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
1-(5-nitrofuran-2-yl)piperidine
CID 134976034
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
(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
cyclohexyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
CID 45051477
5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]thiophen-2-amine
CID 102309944
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine?
The IUPAC name of 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine (CID 71404922) is 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine.
What is the SMILES notation for 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine?
The canonical SMILES for 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine is O=[N+]([O-])c1ccc(C=CN2CCCCC2)o1.
What is the InChIKey of 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine?
The InChIKey is MWQLQWFDFNQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-13(15)11-5-4-10(16-11)6-9-12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine?
1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine has a molecular weight of 222.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-nitrofuran-2-yl)ethenyl]piperidine is sourced from PubChem (CID 71404922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).