1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea

C7H14N2O2 — CID 115624365

IUPAC1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCNC(=O)NCC1(C)COC1
InChIInChI=1S/C7H14N2O2/c1-7(4-11-5-7)3-9-6(10)8-2/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyUEBKSJQMWDIOMN-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.05
Rot. Bonds2

About 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea

1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 115624365) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID115624365
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCNC(=O)NCC1(C)COC1
InChIInChI=1S/C7H14N2O2/c1-7(4-11-5-7)3-9-6(10)8-2/h3-5H2,1-2H3,(H2,8,9,10)
InChIKeyUEBKSJQMWDIOMN-UHFFFAOYSA-N
XLogP-0.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.05
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-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea (CID 115624365) is 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea is CNC(=O)NCC1(C)COC1.
What is the InChIKey of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is UEBKSJQMWDIOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(4-11-5-7)3-9-6(10)8-2/h3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea?
1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 158.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 115624365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).