1-ethyl-1-(oxiran-2-ylmethyl)urea

C6H12N2O2 — CID 141285145

IUPAC1-ethyl-1-(oxiran-2-ylmethyl)urea
SMILESCCN(CC1CO1)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-8(6(7)9)3-5-4-10-5/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyRALKKTVXBXTZNH-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.21
Rot. Bonds3

About 1-ethyl-1-(oxiran-2-ylmethyl)urea

1-ethyl-1-(oxiran-2-ylmethyl)urea (PubChem CID 141285145) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-ethyl-1-(oxiran-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(oxiran-2-ylmethyl)urea
PubChem CID141285145
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-ethyl-1-(oxiran-2-ylmethyl)urea
SMILESCCN(CC1CO1)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-2-8(6(7)9)3-5-4-10-5/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyRALKKTVXBXTZNH-UHFFFAOYSA-N
XLogP-0.21
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.21
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

1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
1-ethyl-1-[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 151140940
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
CID 173404632
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
1,1-diethylurea;methanol
CID 88508313
sodium;1,1-diethylurea;hydride
CID 173115035
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
CID 173429156
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
1,1,2-tris(oxiran-2-ylmethyl)guanidine
CID 175551525
methyl(oxiran-2-ylmethyl)carbamic acid
CID 87093362
2-methyl-N-octadecyl-N-(oxiran-2-ylmethyl)propanamide
CID 88735263
2-(2-methylprop-2-enyl)oxirane;urea
CID 159105075

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxiran-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-1-(oxiran-2-ylmethyl)urea (CID 141285145) is 1-ethyl-1-(oxiran-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1-(oxiran-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1-(oxiran-2-ylmethyl)urea is CCN(CC1CO1)C(N)=O.
What is the InChIKey of 1-ethyl-1-(oxiran-2-ylmethyl)urea?
The InChIKey is RALKKTVXBXTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-8(6(7)9)3-5-4-10-5/h5H,2-4H2,1H3,(H2,7,9).
What are the key properties of 1-ethyl-1-(oxiran-2-ylmethyl)urea?
1-ethyl-1-(oxiran-2-ylmethyl)urea has a molecular weight of 144.17 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxiran-2-ylmethyl)urea is sourced from PubChem (CID 141285145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).