[(E)-oxolan-3-ylideneamino]carbamic acid

C5H8N2O3 — CID 87368691

IUPAC[(E)-oxolan-3-ylideneamino]carbamic acid
SMILESO=C(O)N/N=C1\CCOC1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-6-4-1-2-10-3-4/h7H,1-3H2,(H,8,9)/b6-4+
InChIKeyPUJQCHAXAXOPLW-GQCTYLIASA-N
MW144.13 g/mol
LogP0.03
Rot. Bonds1

About [(E)-oxolan-3-ylideneamino]carbamic acid

[(E)-oxolan-3-ylideneamino]carbamic acid (PubChem CID 87368691) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is [(E)-oxolan-3-ylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-oxolan-3-ylideneamino]carbamic acid
PubChem CID87368691
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name[(E)-oxolan-3-ylideneamino]carbamic acid
SMILESO=C(O)N/N=C1\CCOC1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-6-4-1-2-10-3-4/h7H,1-3H2,(H,8,9)/b6-4+
InChIKeyPUJQCHAXAXOPLW-GQCTYLIASA-N
XLogP0.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-oxolan-3-ylideneamino]carbamic acid 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 [(E)-oxolan-3-ylideneamino]carbamic acid?
The IUPAC name of [(E)-oxolan-3-ylideneamino]carbamic acid (CID 87368691) is [(E)-oxolan-3-ylideneamino]carbamic acid.
What is the SMILES notation for [(E)-oxolan-3-ylideneamino]carbamic acid?
The canonical SMILES for [(E)-oxolan-3-ylideneamino]carbamic acid is O=C(O)N/N=C1\CCOC1.
What is the InChIKey of [(E)-oxolan-3-ylideneamino]carbamic acid?
The InChIKey is PUJQCHAXAXOPLW-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2O3/c8-5(9)7-6-4-1-2-10-3-4/h7H,1-3H2,(H,8,9)/b6-4+.
What are the key properties of [(E)-oxolan-3-ylideneamino]carbamic acid?
[(E)-oxolan-3-ylideneamino]carbamic acid has a molecular weight of 144.13 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oxolan-3-ylideneamino]carbamic acid is sourced from PubChem (CID 87368691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).