1-(2-oxooxolan-3-ylidene)ethylurea

C7H10N2O3 — CID 581538

IUPAC1-(2-oxooxolan-3-ylidene)ethylurea
SMILESCC(NC(N)=O)=C1CCOC1=O
InChIInChI=1S/C7H10N2O3/c1-4(9-7(8)11)5-2-3-12-6(5)10/h2-3H2,1H3,(H3,8,9,11)
InChIKeyQJMWRBZBJIWJPU-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.12
Rot. Bonds1

About 1-(2-oxooxolan-3-ylidene)ethylurea

1-(2-oxooxolan-3-ylidene)ethylurea (PubChem CID 581538) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-oxooxolan-3-ylidene)ethylurea.

Molecular Properties

Compound Name1-(2-oxooxolan-3-ylidene)ethylurea
PubChem CID581538
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-oxooxolan-3-ylidene)ethylurea
SMILESCC(NC(N)=O)=C1CCOC1=O
InChIInChI=1S/C7H10N2O3/c1-4(9-7(8)11)5-2-3-12-6(5)10/h2-3H2,1H3,(H3,8,9,11)
InChIKeyQJMWRBZBJIWJPU-UHFFFAOYSA-N
XLogP-0.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxooxolan-3-ylidene)ethylurea?
The IUPAC name of 1-(2-oxooxolan-3-ylidene)ethylurea (CID 581538) is 1-(2-oxooxolan-3-ylidene)ethylurea.
What is the SMILES notation for 1-(2-oxooxolan-3-ylidene)ethylurea?
The canonical SMILES for 1-(2-oxooxolan-3-ylidene)ethylurea is CC(NC(N)=O)=C1CCOC1=O.
What is the InChIKey of 1-(2-oxooxolan-3-ylidene)ethylurea?
The InChIKey is QJMWRBZBJIWJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(9-7(8)11)5-2-3-12-6(5)10/h2-3H2,1H3,(H3,8,9,11).
What are the key properties of 1-(2-oxooxolan-3-ylidene)ethylurea?
1-(2-oxooxolan-3-ylidene)ethylurea has a molecular weight of 170.17 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxooxolan-3-ylidene)ethylurea is sourced from PubChem (CID 581538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).