[(Z)-butan-2-ylideneamino]urea

C5H11N3O — CID 5324285

IUPAC[(Z)-butan-2-ylideneamino]urea
SMILESCC/C(C)=N\NC(N)=O
InChIInChI=1S/C5H11N3O/c1-3-4(2)7-8-5(6)9/h3H2,1-2H3,(H3,6,8,9)/b7-4-
InChIKeyTYLYPMBEMALHLV-DAXSKMNVSA-N
MW129.16 g/mol
LogP0.44
Rot. Bonds2

About [(Z)-butan-2-ylideneamino]urea

[(Z)-butan-2-ylideneamino]urea (PubChem CID 5324285) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is [(Z)-butan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-butan-2-ylideneamino]urea
PubChem CID5324285
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name[(Z)-butan-2-ylideneamino]urea
SMILESCC/C(C)=N\NC(N)=O
InChIInChI=1S/C5H11N3O/c1-3-4(2)7-8-5(6)9/h3H2,1-2H3,(H3,6,8,9)/b7-4-
InChIKeyTYLYPMBEMALHLV-DAXSKMNVSA-N
XLogP0.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(Z)-butan-2-ylideneamino]urea?
The IUPAC name of [(Z)-butan-2-ylideneamino]urea (CID 5324285) is [(Z)-butan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-butan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-butan-2-ylideneamino]urea is CC/C(C)=N\NC(N)=O.
What is the InChIKey of [(Z)-butan-2-ylideneamino]urea?
The InChIKey is TYLYPMBEMALHLV-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-4(2)7-8-5(6)9/h3H2,1-2H3,(H3,6,8,9)/b7-4-.
What are the key properties of [(Z)-butan-2-ylideneamino]urea?
[(Z)-butan-2-ylideneamino]urea has a molecular weight of 129.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-butan-2-ylideneamino]urea is sourced from PubChem (CID 5324285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).