N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide

C10H12N4O5 — CID 6444719

IUPACN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)N1CCOCC1
InChIInChI=1S/C10H12N4O5/c15-10(13-3-5-18-6-4-13)12-11-7-8-1-2-9(19-8)14(16)17/h1-2,7H,3-6H2,(H,12,15)/b11-7-
InChIKeyNVAUCWNDTOEUTI-XFFZJAGNSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds3

About N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide

N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide (PubChem CID 6444719) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
PubChem CID6444719
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC NameN-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)N1CCOCC1
InChIInChI=1S/C10H12N4O5/c15-10(13-3-5-18-6-4-13)12-11-7-8-1-2-9(19-8)14(16)17/h1-2,7H,3-6H2,(H,12,15)/b11-7-
InChIKeyNVAUCWNDTOEUTI-XFFZJAGNSA-N
XLogP0.56
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 45125653
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]cyclohexanecarboxamide
CID 6875630
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
(3E)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(pyridin-4-ylmethylidene)urea
CID 10452903
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiophene-2-carboxamide
CID 5428249

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide?
The IUPAC name of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide (CID 6444719) is N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide?
The canonical SMILES for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])o1)N1CCOCC1.
What is the InChIKey of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide?
The InChIKey is NVAUCWNDTOEUTI-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H12N4O5/c15-10(13-3-5-18-6-4-13)12-11-7-8-1-2-9(19-8)14(16)17/h1-2,7H,3-6H2,(H,12,15)/b11-7-.
What are the key properties of N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide?
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide has a molecular weight of 268.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide is sourced from PubChem (CID 6444719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).