1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea

C9H12N4O5 — CID 6061574

IUPAC1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESCC(O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C9H12N4O5/c1-6(14)5-12(9(10)15)11-4-7-2-3-8(18-7)13(16)17/h2-4,6,14H,5H2,1H3,(H2,10,15)/b11-4-
InChIKeyGBNRGPOXYKKLGO-WCIBSUBMSA-N
MW256.22 g/mol
LogP0.28
Rot. Bonds5

About 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea

1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea (PubChem CID 6061574) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
PubChem CID6061574
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea
SMILESCC(O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O
InChIInChI=1S/C9H12N4O5/c1-6(14)5-12(9(10)15)11-4-7-2-3-8(18-7)13(16)17/h2-4,6,14H,5H2,1H3,(H2,10,15)/b11-4-
InChIKeyGBNRGPOXYKKLGO-WCIBSUBMSA-N
XLogP0.28
TPSA135.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
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'}

Analyze 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea?
The IUPAC name of 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea (CID 6061574) is 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea is CC(O)CN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O.
What is the InChIKey of 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea?
The InChIKey is GBNRGPOXYKKLGO-WCIBSUBMSA-N. The full InChI is InChI=1S/C9H12N4O5/c1-6(14)5-12(9(10)15)11-4-7-2-3-8(18-7)13(16)17/h2-4,6,14H,5H2,1H3,(H2,10,15)/b11-4-.
What are the key properties of 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea?
1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea has a molecular weight of 256.22 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-[(Z)-(5-nitrofuran-2-yl)methylideneamino]urea is sourced from PubChem (CID 6061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).