1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea

C10H18N2O2 — CID 115760727

IUPAC1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(C(=O)NC1CCOC1)C1CCC1
InChIInChI=1S/C10H18N2O2/c1-12(9-3-2-4-9)10(13)11-8-5-6-14-7-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyIGWVOLLKXLUIIP-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds2

About 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea

1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea (PubChem CID 115760727) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
PubChem CID115760727
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea
SMILESCN(C(=O)NC1CCOC1)C1CCC1
InChIInChI=1S/C10H18N2O2/c1-12(9-3-2-4-9)10(13)11-8-5-6-14-7-8/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyIGWVOLLKXLUIIP-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-methyl-3-(oxolan-3-yl)urea
CID 115760744
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
1-cyclopropyl-1-ethyl-3-(oxolan-3-yl)urea
CID 115760678
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
1-cyclopentyl-3-(oxolan-3-yl)urea
CID 115758222
2-[[methyl(oxolan-3-yl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 82742597
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
6-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 80712567
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea (CID 115760727) is 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea is CN(C(=O)NC1CCOC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea?
The InChIKey is IGWVOLLKXLUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-12(9-3-2-4-9)10(13)11-8-5-6-14-7-8/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea?
1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea has a molecular weight of 198.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-methyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115760727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).