[(E)-[(E)-3-methylpent-2-enylidene]amino]urea

C7H13N3O — CID 50989810

IUPAC[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
SMILESCC/C(C)=C/C=N/NC(N)=O
InChIInChI=1S/C7H13N3O/c1-3-6(2)4-5-9-10-7(8)11/h4-5H,3H2,1-2H3,(H3,8,10,11)/b6-4+,9-5+
InChIKeyLWYOSSLZROVOTH-REZHQCRGSA-N
MW155.20 g/mol
LogP1.00
Rot. Bonds3

About [(E)-[(E)-3-methylpent-2-enylidene]amino]urea

[(E)-[(E)-3-methylpent-2-enylidene]amino]urea (PubChem CID 50989810) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is [(E)-[(E)-3-methylpent-2-enylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
PubChem CID50989810
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name[(E)-[(E)-3-methylpent-2-enylidene]amino]urea
SMILESCC/C(C)=C/C=N/NC(N)=O
InChIInChI=1S/C7H13N3O/c1-3-6(2)4-5-9-10-7(8)11/h4-5H,3H2,1-2H3,(H3,8,10,11)/b6-4+,9-5+
InChIKeyLWYOSSLZROVOTH-REZHQCRGSA-N
XLogP1.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.00
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 [(E)-[(E)-3-methylpent-2-enylidene]amino]urea?
The IUPAC name of [(E)-[(E)-3-methylpent-2-enylidene]amino]urea (CID 50989810) is [(E)-[(E)-3-methylpent-2-enylidene]amino]urea.
What is the SMILES notation for [(E)-[(E)-3-methylpent-2-enylidene]amino]urea?
The canonical SMILES for [(E)-[(E)-3-methylpent-2-enylidene]amino]urea is CC/C(C)=C/C=N/NC(N)=O.
What is the InChIKey of [(E)-[(E)-3-methylpent-2-enylidene]amino]urea?
The InChIKey is LWYOSSLZROVOTH-REZHQCRGSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-6(2)4-5-9-10-7(8)11/h4-5H,3H2,1-2H3,(H3,8,10,11)/b6-4+,9-5+.
What are the key properties of [(E)-[(E)-3-methylpent-2-enylidene]amino]urea?
[(E)-[(E)-3-methylpent-2-enylidene]amino]urea has a molecular weight of 155.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-3-methylpent-2-enylidene]amino]urea is sourced from PubChem (CID 50989810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).