(oxolan-3-ylideneamino)urea

C5H9N3O2 — CID 77013743

IUPAC(oxolan-3-ylideneamino)urea
SMILESNC(=O)NN=C1CCOC1
InChIInChI=1S/C5H9N3O2/c6-5(9)8-7-4-1-2-10-3-4/h1-3H2,(H3,6,8,9)
InChIKeyOBLDGWJNWSVNEL-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.57
Rot. Bonds1

About (oxolan-3-ylideneamino)urea

(oxolan-3-ylideneamino)urea (PubChem CID 77013743) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (oxolan-3-ylideneamino)urea.

Molecular Properties

Compound Name(oxolan-3-ylideneamino)urea
PubChem CID77013743
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(oxolan-3-ylideneamino)urea
SMILESNC(=O)NN=C1CCOC1
InChIInChI=1S/C5H9N3O2/c6-5(9)8-7-4-1-2-10-3-4/h1-3H2,(H3,6,8,9)
InChIKeyOBLDGWJNWSVNEL-UHFFFAOYSA-N
XLogP-0.57
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.57
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)urea?
The IUPAC name of (oxolan-3-ylideneamino)urea (CID 77013743) is (oxolan-3-ylideneamino)urea.
What is the SMILES notation for (oxolan-3-ylideneamino)urea?
The canonical SMILES for (oxolan-3-ylideneamino)urea is NC(=O)NN=C1CCOC1.
What is the InChIKey of (oxolan-3-ylideneamino)urea?
The InChIKey is OBLDGWJNWSVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-5(9)8-7-4-1-2-10-3-4/h1-3H2,(H3,6,8,9).
What are the key properties of (oxolan-3-ylideneamino)urea?
(oxolan-3-ylideneamino)urea has a molecular weight of 143.15 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (oxolan-3-ylideneamino)urea is sourced from PubChem (CID 77013743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).