[(2-methyloxolan-3-ylidene)amino]urea

C6H11N3O2 — CID 115327826

IUPAC[(2-methyloxolan-3-ylidene)amino]urea
SMILESCC1OCCC1=NNC(N)=O
InChIInChI=1S/C6H11N3O2/c1-4-5(2-3-11-4)8-9-6(7)10/h4H,2-3H2,1H3,(H3,7,9,10)
InChIKeyBNCJJYKDCGRVMX-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.18
Rot. Bonds1

About [(2-methyloxolan-3-ylidene)amino]urea

[(2-methyloxolan-3-ylidene)amino]urea (PubChem CID 115327826) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(2-methyloxolan-3-ylidene)amino]urea.

Molecular Properties

Compound Name[(2-methyloxolan-3-ylidene)amino]urea
PubChem CID115327826
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name[(2-methyloxolan-3-ylidene)amino]urea
SMILESCC1OCCC1=NNC(N)=O
InChIInChI=1S/C6H11N3O2/c1-4-5(2-3-11-4)8-9-6(7)10/h4H,2-3H2,1H3,(H3,7,9,10)
InChIKeyBNCJJYKDCGRVMX-UHFFFAOYSA-N
XLogP-0.18
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.18
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 [(2-methyloxolan-3-ylidene)amino]urea?
The IUPAC name of [(2-methyloxolan-3-ylidene)amino]urea (CID 115327826) is [(2-methyloxolan-3-ylidene)amino]urea.
What is the SMILES notation for [(2-methyloxolan-3-ylidene)amino]urea?
The canonical SMILES for [(2-methyloxolan-3-ylidene)amino]urea is CC1OCCC1=NNC(N)=O.
What is the InChIKey of [(2-methyloxolan-3-ylidene)amino]urea?
The InChIKey is BNCJJYKDCGRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-4-5(2-3-11-4)8-9-6(7)10/h4H,2-3H2,1H3,(H3,7,9,10).
What are the key properties of [(2-methyloxolan-3-ylidene)amino]urea?
[(2-methyloxolan-3-ylidene)amino]urea has a molecular weight of 157.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyloxolan-3-ylidene)amino]urea is sourced from PubChem (CID 115327826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).