[(2-methyloxan-4-ylidene)amino]urea

C7H13N3O2 — CID 77022544

IUPAC[(2-methyloxan-4-ylidene)amino]urea
SMILESCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C7H13N3O2/c1-5-4-6(2-3-12-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11)
InChIKeyKXZUQWJKXVFDQQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.21
Rot. Bonds1

About [(2-methyloxan-4-ylidene)amino]urea

[(2-methyloxan-4-ylidene)amino]urea (PubChem CID 77022544) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is [(2-methyloxan-4-ylidene)amino]urea.

Molecular Properties

Compound Name[(2-methyloxan-4-ylidene)amino]urea
PubChem CID77022544
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name[(2-methyloxan-4-ylidene)amino]urea
SMILESCC1CC(=NNC(N)=O)CCO1
InChIInChI=1S/C7H13N3O2/c1-5-4-6(2-3-12-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11)
InChIKeyKXZUQWJKXVFDQQ-UHFFFAOYSA-N
XLogP0.21
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.21
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-methyloxan-4-ylidene)amino]urea?
The IUPAC name of [(2-methyloxan-4-ylidene)amino]urea (CID 77022544) is [(2-methyloxan-4-ylidene)amino]urea.
What is the SMILES notation for [(2-methyloxan-4-ylidene)amino]urea?
The canonical SMILES for [(2-methyloxan-4-ylidene)amino]urea is CC1CC(=NNC(N)=O)CCO1.
What is the InChIKey of [(2-methyloxan-4-ylidene)amino]urea?
The InChIKey is KXZUQWJKXVFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5-4-6(2-3-12-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11).
What are the key properties of [(2-methyloxan-4-ylidene)amino]urea?
[(2-methyloxan-4-ylidene)amino]urea has a molecular weight of 171.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyloxan-4-ylidene)amino]urea is sourced from PubChem (CID 77022544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).