1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea

C10H20N2O2 — CID 130256884

IUPAC1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea
SMILESCNC(=O)N(C)C(C)C1CCC(C)O1
InChIInChI=1S/C10H20N2O2/c1-7-5-6-9(14-7)8(2)12(4)10(13)11-3/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeyGCBQPDGGPBOYKK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.21
Rot. Bonds2

About 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea

1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea (PubChem CID 130256884) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea
PubChem CID130256884
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea
SMILESCNC(=O)N(C)C(C)C1CCC(C)O1
InChIInChI=1S/C10H20N2O2/c1-7-5-6-9(14-7)8(2)12(4)10(13)11-3/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeyGCBQPDGGPBOYKK-UHFFFAOYSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea?
The IUPAC name of 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea (CID 130256884) is 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea?
The canonical SMILES for 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea is CNC(=O)N(C)C(C)C1CCC(C)O1.
What is the InChIKey of 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea?
The InChIKey is GCBQPDGGPBOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-6-9(14-7)8(2)12(4)10(13)11-3/h7-9H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea?
1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea has a molecular weight of 200.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[1-(5-methyloxolan-2-yl)ethyl]urea is sourced from PubChem (CID 130256884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).