[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea

C11H19N3O — CID 138525483

IUPAC[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
SMILESCC(C)=C/C=C(/C=N/NC(N)=O)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)5-6-10(9(3)4)7-13-14-11(12)15/h5-7,9H,1-4H3,(H3,12,14,15)/b10-6-,13-7+
InChIKeyKLTUAXIGIUENHZ-ZQPUQZQPSA-N
MW209.29 g/mol
LogP2.19
Rot. Bonds4

About [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea

[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea (PubChem CID 138525483) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
PubChem CID138525483
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea
SMILESCC(C)=C/C=C(/C=N/NC(N)=O)C(C)C
InChIInChI=1S/C11H19N3O/c1-8(2)5-6-10(9(3)4)7-13-14-11(12)15/h5-7,9H,1-4H3,(H3,12,14,15)/b10-6-,13-7+
InChIKeyKLTUAXIGIUENHZ-ZQPUQZQPSA-N
XLogP2.19
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.19
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea?
The IUPAC name of [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea (CID 138525483) is [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea.
What is the SMILES notation for [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea?
The canonical SMILES for [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea is CC(C)=C/C=C(/C=N/NC(N)=O)C(C)C.
What is the InChIKey of [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea?
The InChIKey is KLTUAXIGIUENHZ-ZQPUQZQPSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)5-6-10(9(3)4)7-13-14-11(12)15/h5-7,9H,1-4H3,(H3,12,14,15)/b10-6-,13-7+.
What are the key properties of [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea?
[(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea has a molecular weight of 209.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-5-methyl-2-propan-2-ylhexa-2,4-dienylidene]amino]urea is sourced from PubChem (CID 138525483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).