1-methyl-1-(oxolan-2-ylmethyl)urea

C7H14N2O2 — CID 61435896

IUPAC1-methyl-1-(oxolan-2-ylmethyl)urea
SMILESCN(CC1CCCO1)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyLJWUVOCLOJIDMO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds2

About 1-methyl-1-(oxolan-2-ylmethyl)urea

1-methyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 61435896) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-methyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(oxolan-2-ylmethyl)urea
PubChem CID61435896
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-methyl-1-(oxolan-2-ylmethyl)urea
SMILESCN(CC1CCCO1)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyLJWUVOCLOJIDMO-UHFFFAOYSA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-methyl-1-(oxolan-2-ylmethyl)urea (CID 61435896) is 1-methyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-(oxolan-2-ylmethyl)urea is CN(CC1CCCO1)C(N)=O.
What is the InChIKey of 1-methyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is LJWUVOCLOJIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(7(8)10)5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-1-(oxolan-2-ylmethyl)urea?
1-methyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 158.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 61435896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).