1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea

C6H12N2O2 — CID 13247183

IUPAC1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(O)C(=O)NC
InChIInChI=1S/C6H12N2O2/c1-5(2)4-8(10)6(9)7-3/h10H,1,4H2,2-3H3,(H,7,9)
InChIKeyOCUDSQTWSDAONL-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.59
Rot. Bonds2

About 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea

1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea (PubChem CID 13247183) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea
PubChem CID13247183
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(O)C(=O)NC
InChIInChI=1S/C6H12N2O2/c1-5(2)4-8(10)6(9)7-3/h10H,1,4H2,2-3H3,(H,7,9)
InChIKeyOCUDSQTWSDAONL-UHFFFAOYSA-N
XLogP0.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea (CID 13247183) is 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(O)C(=O)NC.
What is the InChIKey of 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is OCUDSQTWSDAONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(2)4-8(10)6(9)7-3/h10H,1,4H2,2-3H3,(H,7,9).
What are the key properties of 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea?
1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 144.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 13247183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).