[(Z)-[(Z)-but-2-enylidene]amino]urea

C5H9N3O — CID 92532250

IUPAC[(Z)-[(Z)-but-2-enylidene]amino]urea
SMILESC/C=C\C=N/NC(N)=O
InChIInChI=1S/C5H9N3O/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)/b3-2-,7-4-
InChIKeyMVGVEKBZYSGCQU-JXPISWCDSA-N
MW127.15 g/mol
LogP0.22
Rot. Bonds2

About [(Z)-[(Z)-but-2-enylidene]amino]urea

[(Z)-[(Z)-but-2-enylidene]amino]urea (PubChem CID 92532250) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is [(Z)-[(Z)-but-2-enylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(Z)-but-2-enylidene]amino]urea
PubChem CID92532250
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name[(Z)-[(Z)-but-2-enylidene]amino]urea
SMILESC/C=C\C=N/NC(N)=O
InChIInChI=1S/C5H9N3O/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)/b3-2-,7-4-
InChIKeyMVGVEKBZYSGCQU-JXPISWCDSA-N
XLogP0.22
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.22
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)-[(Z)-but-2-enylidene]amino]urea?
The IUPAC name of [(Z)-[(Z)-but-2-enylidene]amino]urea (CID 92532250) is [(Z)-[(Z)-but-2-enylidene]amino]urea.
What is the SMILES notation for [(Z)-[(Z)-but-2-enylidene]amino]urea?
The canonical SMILES for [(Z)-[(Z)-but-2-enylidene]amino]urea is C/C=C\C=N/NC(N)=O.
What is the InChIKey of [(Z)-[(Z)-but-2-enylidene]amino]urea?
The InChIKey is MVGVEKBZYSGCQU-JXPISWCDSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-3-4-7-8-5(6)9/h2-4H,1H3,(H3,6,8,9)/b3-2-,7-4-.
What are the key properties of [(Z)-[(Z)-but-2-enylidene]amino]urea?
[(Z)-[(Z)-but-2-enylidene]amino]urea has a molecular weight of 127.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(Z)-but-2-enylidene]amino]urea is sourced from PubChem (CID 92532250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).