1-(furan-2-yl)-2-nitropiperazine

C8H11N3O3 — CID 175672779

IUPAC1-(furan-2-yl)-2-nitropiperazine
SMILESO=[N+]([O-])C1CNCCN1c1ccco1
InChIInChI=1S/C8H11N3O3/c12-11(13)7-6-9-3-4-10(7)8-2-1-5-14-8/h1-2,5,7,9H,3-4,6H2
InChIKeyFJMWHQSZJWASJD-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.29
Rot. Bonds2

About 1-(furan-2-yl)-2-nitropiperazine

1-(furan-2-yl)-2-nitropiperazine (PubChem CID 175672779) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-nitropiperazine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-nitropiperazine
PubChem CID175672779
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-(furan-2-yl)-2-nitropiperazine
SMILESO=[N+]([O-])C1CNCCN1c1ccco1
InChIInChI=1S/C8H11N3O3/c12-11(13)7-6-9-3-4-10(7)8-2-1-5-14-8/h1-2,5,7,9H,3-4,6H2
InChIKeyFJMWHQSZJWASJD-UHFFFAOYSA-N
XLogP0.29
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
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

(2-Furanyl)-5-fluorouracil
CID 324191
Furanyluracil
CID 70364377
Nitrofuryltriazoline
CID 129796916
1-(5-Nitrofuran-2-yl)piperidine
CID 134976034
Morpholine, 4-(5-nitro-2-furanyl)-
CID 10584092
N-(furan-2-yl)morpholine-4-carboxamide
CID 12622319
1-(Furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
1-(3-Fluoropropyl)-3-(furan-2-yl)urea
CID 130625809
1-(2-Fluoroethyl)-3-(furan-2-yl)urea
CID 131084030
1-(5-Nitrofuran-2-yl)imidazolidin-2-one
CID 12998976
1-(5-Nitrofuran-2-yl)imidazolidine-2-thione
CID 12998979

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-nitropiperazine?
The IUPAC name of 1-(furan-2-yl)-2-nitropiperazine (CID 175672779) is 1-(furan-2-yl)-2-nitropiperazine.
What is the SMILES notation for 1-(furan-2-yl)-2-nitropiperazine?
The canonical SMILES for 1-(furan-2-yl)-2-nitropiperazine is O=[N+]([O-])C1CNCCN1c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-nitropiperazine?
The InChIKey is FJMWHQSZJWASJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-11(13)7-6-9-3-4-10(7)8-2-1-5-14-8/h1-2,5,7,9H,3-4,6H2.
What are the key properties of 1-(furan-2-yl)-2-nitropiperazine?
1-(furan-2-yl)-2-nitropiperazine has a molecular weight of 197.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-nitropiperazine is sourced from PubChem (CID 175672779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).