3-cyclobutyl-1-hydroxy-1-methylurea

C6H12N2O2 — CID 130900785

IUPAC3-cyclobutyl-1-hydroxy-1-methylurea
SMILESCN(O)C(=O)NC1CCC1
InChIInChI=1S/C6H12N2O2/c1-8(10)6(9)7-5-3-2-4-5/h5,10H,2-4H2,1H3,(H,7,9)
InChIKeyADTBBHUHCQLCRT-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.57
Rot. Bonds1

About 3-cyclobutyl-1-hydroxy-1-methylurea

3-cyclobutyl-1-hydroxy-1-methylurea (PubChem CID 130900785) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-cyclobutyl-1-hydroxy-1-methylurea.

Molecular Properties

Compound Name3-cyclobutyl-1-hydroxy-1-methylurea
PubChem CID130900785
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-cyclobutyl-1-hydroxy-1-methylurea
SMILESCN(O)C(=O)NC1CCC1
InChIInChI=1S/C6H12N2O2/c1-8(10)6(9)7-5-3-2-4-5/h5,10H,2-4H2,1H3,(H,7,9)
InChIKeyADTBBHUHCQLCRT-UHFFFAOYSA-N
XLogP0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
1-(1-aminopropan-2-yl)-3-cyclobutyl-1-methylurea
CID 82504241
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
CID 116656057
1-(3-aminobutyl)-3-cyclobutyl-1-methylurea
CID 116658911

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-hydroxy-1-methylurea?
The IUPAC name of 3-cyclobutyl-1-hydroxy-1-methylurea (CID 130900785) is 3-cyclobutyl-1-hydroxy-1-methylurea.
What is the SMILES notation for 3-cyclobutyl-1-hydroxy-1-methylurea?
The canonical SMILES for 3-cyclobutyl-1-hydroxy-1-methylurea is CN(O)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-hydroxy-1-methylurea?
The InChIKey is ADTBBHUHCQLCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(10)6(9)7-5-3-2-4-5/h5,10H,2-4H2,1H3,(H,7,9).
What are the key properties of 3-cyclobutyl-1-hydroxy-1-methylurea?
3-cyclobutyl-1-hydroxy-1-methylurea has a molecular weight of 144.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-hydroxy-1-methylurea is sourced from PubChem (CID 130900785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).