1-cyclobutyl-1,3-dimethylurea

C7H14N2O — CID 66861755

IUPAC1-cyclobutyl-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCC1
InChIInChI=1S/C7H14N2O/c1-8-7(10)9(2)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyGVBWYKNHPJBOPG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds1

About 1-cyclobutyl-1,3-dimethylurea

1-cyclobutyl-1,3-dimethylurea (PubChem CID 66861755) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclobutyl-1,3-dimethylurea.

Molecular Properties

Compound Name1-cyclobutyl-1,3-dimethylurea
PubChem CID66861755
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-cyclobutyl-1,3-dimethylurea
SMILESCNC(=O)N(C)C1CCC1
InChIInChI=1S/C7H14N2O/c1-8-7(10)9(2)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyGVBWYKNHPJBOPG-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
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CID 82508731
1-[(2S,4S)-2-ethyloxan-4-yl]-1,3-dimethylurea
CID 126729792
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1,3-dimethylurea?
The IUPAC name of 1-cyclobutyl-1,3-dimethylurea (CID 66861755) is 1-cyclobutyl-1,3-dimethylurea.
What is the SMILES notation for 1-cyclobutyl-1,3-dimethylurea?
The canonical SMILES for 1-cyclobutyl-1,3-dimethylurea is CNC(=O)N(C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1,3-dimethylurea?
The InChIKey is GVBWYKNHPJBOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-8-7(10)9(2)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 1-cyclobutyl-1,3-dimethylurea?
1-cyclobutyl-1,3-dimethylurea has a molecular weight of 142.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1,3-dimethylurea is sourced from PubChem (CID 66861755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).