N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide

C11H13N3O5 — CID 66197676

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H13N3O5/c12-8-5-3-4-18-10(5)9(8)13-11(15)6-1-2-7(19-6)14(16)17/h1-2,5,8-10H,3-4,12H2,(H,13,15)
InChIKeyKBZXNMVGIJIWGJ-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.03
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide (PubChem CID 66197676) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
PubChem CID66197676
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide
SMILESNC1C2CCOC2C1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H13N3O5/c12-8-5-3-4-18-10(5)9(8)13-11(15)6-1-2-7(19-6)14(16)17/h1-2,5,8-10H,3-4,12H2,(H,13,15)
InChIKeyKBZXNMVGIJIWGJ-UHFFFAOYSA-N
XLogP0.03
TPSA120.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-nitrofuran-2-carboxamide
CID 66211532
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-methyl-2-nitrobenzamide
CID 66197087
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methyl-6-nitrobenzamide
CID 66197475
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzamide
CID 66194783
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-5-chlorothiophene-2-carboxamide
CID 91795247
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)naphthalene-2-carboxamide
CID 66195955
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,4,6-trifluorobenzamide
CID 66194976
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-4-hydroxy-3-methylbenzamide
CID 107672150
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-chloro-4-hydroxybenzamide
CID 66195347
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-chloro-2-hydroxybenzamide
CID 66196124

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide (CID 66197676) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide is NC1C2CCOC2C1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is KBZXNMVGIJIWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-8-5-3-4-18-10(5)9(8)13-11(15)6-1-2-7(19-6)14(16)17/h1-2,5,8-10H,3-4,12H2,(H,13,15).
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 66197676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).