1-methyl-3-(3-methyloxan-3-yl)urea

C8H16N2O2 — CID 103895711

IUPAC1-methyl-3-(3-methyloxan-3-yl)urea
SMILESCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C8H16N2O2/c1-8(10-7(11)9-2)4-3-5-12-6-8/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHRRRHIHYCRBAIW-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.48
Rot. Bonds1

About 1-methyl-3-(3-methyloxan-3-yl)urea

1-methyl-3-(3-methyloxan-3-yl)urea (PubChem CID 103895711) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methyl-3-(3-methyloxan-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyloxan-3-yl)urea
PubChem CID103895711
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-methyl-3-(3-methyloxan-3-yl)urea
SMILESCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C8H16N2O2/c1-8(10-7(11)9-2)4-3-5-12-6-8/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHRRRHIHYCRBAIW-UHFFFAOYSA-N
XLogP0.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyloxan-3-yl)urea?
The IUPAC name of 1-methyl-3-(3-methyloxan-3-yl)urea (CID 103895711) is 1-methyl-3-(3-methyloxan-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(3-methyloxan-3-yl)urea?
The canonical SMILES for 1-methyl-3-(3-methyloxan-3-yl)urea is CNC(=O)NC1(C)CCCOC1.
What is the InChIKey of 1-methyl-3-(3-methyloxan-3-yl)urea?
The InChIKey is HRRRHIHYCRBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(10-7(11)9-2)4-3-5-12-6-8/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-methyl-3-(3-methyloxan-3-yl)urea?
1-methyl-3-(3-methyloxan-3-yl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyloxan-3-yl)urea is sourced from PubChem (CID 103895711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).