3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea

C11H20N2O2 — CID 115618280

IUPAC3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c1-13(11(14)12-10-4-5-10)7-9-3-2-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyYTVOERSKCXXDGH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea

3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea (PubChem CID 115618280) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea
PubChem CID115618280
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O2/c1-13(11(14)12-10-4-5-10)7-9-3-2-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyYTVOERSKCXXDGH-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea (CID 115618280) is 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea is CN(CC1CCCOC1)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The InChIKey is YTVOERSKCXXDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13(11(14)12-10-4-5-10)7-9-3-2-6-15-8-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea?
3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 115618280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).