N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide

C10H11N3O4 — CID 43594400

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1C2CNCC21)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H11N3O4/c14-10(7-1-2-8(17-7)13(15)16)12-9-5-3-11-4-6(5)9/h1-2,5-6,9,11H,3-4H2,(H,12,14)
InChIKeyZBQGPNFRYZHUIC-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.14
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide (PubChem CID 43594400) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
PubChem CID43594400
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
SMILESO=C(NC1C2CNCC21)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H11N3O4/c14-10(7-1-2-8(17-7)13(15)16)12-9-5-3-11-4-6(5)9/h1-2,5-6,9,11H,3-4H2,(H,12,14)
InChIKeyZBQGPNFRYZHUIC-UHFFFAOYSA-N
XLogP0.14
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
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

5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-nitrofuran-2-carboxamide
CID 120943472
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
CID 66197676
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-nitrofuran-2-carboxamide
CID 66211532
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
N-(2,3-dihydro-1H-isoindol-1-yl)-5-nitrofuran-2-carboxamide
CID 3011950
N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 120600819
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-nitrofuran-2-carboxamide
CID 114302230
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide (CID 43594400) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide is O=C(NC1C2CNCC21)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is ZBQGPNFRYZHUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-10(7-1-2-8(17-7)13(15)16)12-9-5-3-11-4-6(5)9/h1-2,5-6,9,11H,3-4H2,(H,12,14).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 43594400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).