2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate

C8H9N3O6 — CID 6433366

IUPAC2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)OCCO
InChIInChI=1S/C8H9N3O6/c12-3-4-16-8(13)10-9-5-6-1-2-7(17-6)11(14)15/h1-2,5,12H,3-4H2,(H,10,13)/b9-5-
InChIKeyZEOZJBSXGJMHAQ-UITAMQMPSA-N
MW243.17 g/mol
LogP0.24
Rot. Bonds5

About 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate

2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate (PubChem CID 6433366) has the molecular formula C8H9N3O6 and a molecular weight of 243.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
PubChem CID6433366
Molecular FormulaC8H9N3O6
Molecular Weight243.17 g/mol
Exact Mass243.05
IUPAC Name2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])o1)OCCO
InChIInChI=1S/C8H9N3O6/c12-3-4-16-8(13)10-9-5-6-1-2-7(17-6)11(14)15/h1-2,5,12H,3-4H2,(H,10,13)/b9-5-
InChIKeyZEOZJBSXGJMHAQ-UITAMQMPSA-N
XLogP0.24
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448
butyl N-[[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamoylamino]carbamate
CID 134124807
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
tert-butyl N-[(2S)-4-methyl-1-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1-oxopentan-2-yl]carbamate
CID 56933867
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N,N-dimethylformamide;[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 174920742
4-butoxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 90675804
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate (CID 6433366) is 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate is O=C(N/N=C\c1ccc([N+](=O)[O-])o1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate?
The InChIKey is ZEOZJBSXGJMHAQ-UITAMQMPSA-N. The full InChI is InChI=1S/C8H9N3O6/c12-3-4-16-8(13)10-9-5-6-1-2-7(17-6)11(14)15/h1-2,5,12H,3-4H2,(H,10,13)/b9-5-.
What are the key properties of 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate?
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate has a molecular weight of 243.17 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate is sourced from PubChem (CID 6433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).