(oxolan-3-ylideneamino)carbamic acid

C5H8N2O3 — CID 67356938

IUPAC(oxolan-3-ylideneamino)carbamic acid
SMILESO=C(O)NN=C1CCOC1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-6-4-1-2-10-3-4/h7H,1-3H2,(H,8,9)
InChIKeyPUJQCHAXAXOPLW-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.03
Rot. Bonds1

About (oxolan-3-ylideneamino)carbamic acid

(oxolan-3-ylideneamino)carbamic acid (PubChem CID 67356938) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (oxolan-3-ylideneamino)carbamic acid.

Molecular Properties

Compound Name(oxolan-3-ylideneamino)carbamic acid
PubChem CID67356938
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(oxolan-3-ylideneamino)carbamic acid
SMILESO=C(O)NN=C1CCOC1
InChIInChI=1S/C5H8N2O3/c8-5(9)7-6-4-1-2-10-3-4/h7H,1-3H2,(H,8,9)
InChIKeyPUJQCHAXAXOPLW-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (oxolan-3-ylideneamino)carbamic acid?
The IUPAC name of (oxolan-3-ylideneamino)carbamic acid (CID 67356938) is (oxolan-3-ylideneamino)carbamic acid.
What is the SMILES notation for (oxolan-3-ylideneamino)carbamic acid?
The canonical SMILES for (oxolan-3-ylideneamino)carbamic acid is O=C(O)NN=C1CCOC1.
What is the InChIKey of (oxolan-3-ylideneamino)carbamic acid?
The InChIKey is PUJQCHAXAXOPLW-UHFFFAOYSA-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).
What are the key properties of (oxolan-3-ylideneamino)carbamic acid?
(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 (oxolan-3-ylideneamino)carbamic acid is sourced from PubChem (CID 67356938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).