1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea

C11H20N2O2 — CID 67472879

IUPAC1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
SMILESNC(=O)N(C1CCCCC1)[C@@H]1CCOC1
InChIInChI=1S/C11H20N2O2/c12-11(14)13(10-6-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,12,14)/t10-/m1/s1
InChIKeyHXNIGLVVKAWGOI-SNVBAGLBSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds2

About 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea

1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea (PubChem CID 67472879) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
PubChem CID67472879
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
SMILESNC(=O)N(C1CCCCC1)[C@@H]1CCOC1
InChIInChI=1S/C11H20N2O2/c12-11(14)13(10-6-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,12,14)/t10-/m1/s1
InChIKeyHXNIGLVVKAWGOI-SNVBAGLBSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea?
The IUPAC name of 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea (CID 67472879) is 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea is NC(=O)N(C1CCCCC1)[C@@H]1CCOC1.
What is the InChIKey of 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea?
The InChIKey is HXNIGLVVKAWGOI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-11(14)13(10-6-7-15-8-10)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,12,14)/t10-/m1/s1.
What are the key properties of 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea?
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea has a molecular weight of 212.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea is sourced from PubChem (CID 67472879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).