1,1-dimethyl-3-(oxiran-2-ylmethyl)urea

C6H12N2O2 — CID 155625328

IUPAC1,1-dimethyl-3-(oxiran-2-ylmethyl)urea
SMILESCN(C)C(=O)NCC1CO1
InChIInChI=1S/C6H12N2O2/c1-8(2)6(9)7-3-5-4-10-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyBWZDLUDLMXSOHL-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.34
Rot. Bonds2

About 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea

1,1-dimethyl-3-(oxiran-2-ylmethyl)urea (PubChem CID 155625328) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(oxiran-2-ylmethyl)urea
PubChem CID155625328
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1,1-dimethyl-3-(oxiran-2-ylmethyl)urea
SMILESCN(C)C(=O)NCC1CO1
InChIInChI=1S/C6H12N2O2/c1-8(2)6(9)7-3-5-4-10-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKeyBWZDLUDLMXSOHL-UHFFFAOYSA-N
XLogP-0.34
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Chlormerodrin
CID 25210
[3-(Carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
CID 6110
Chlormerodrin Hg-197
CID 91667977
Chlormerodrin Hg-203
CID 193986
N-(2-Methoxypropyl)urea
CID 3037764
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
CID 91667978
Chlormerodrin mercury-203
CID 165411821
[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197
CID 11954348
1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061
Oxiran-2-ylmethylurea
CID 18380130
1-(Oxiran-2-ylmethyl)imidazolidin-2-one
CID 20114265
1,3-Bis(oxiran-2-ylmethyl)urea
CID 20331550

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea?
The IUPAC name of 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea (CID 155625328) is 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea is CN(C)C(=O)NCC1CO1.
What is the InChIKey of 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea?
The InChIKey is BWZDLUDLMXSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)6(9)7-3-5-4-10-5/h5H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea?
1,1-dimethyl-3-(oxiran-2-ylmethyl)urea has a molecular weight of 144.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 155625328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).