1-ethylidene-3-(methoxymethyl)urea

C5H10N2O2 — CID 174418231

IUPAC1-ethylidene-3-(methoxymethyl)urea
SMILESCC=NC(=O)NCOC
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)7-4-9-2/h3H,4H2,1-2H3,(H,7,8)
InChIKeyOJUFQFVYEKJOOD-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.39
Rot. Bonds2

About 1-ethylidene-3-(methoxymethyl)urea

1-ethylidene-3-(methoxymethyl)urea (PubChem CID 174418231) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-ethylidene-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-ethylidene-3-(methoxymethyl)urea
PubChem CID174418231
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-ethylidene-3-(methoxymethyl)urea
SMILESCC=NC(=O)NCOC
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)7-4-9-2/h3H,4H2,1-2H3,(H,7,8)
InChIKeyOJUFQFVYEKJOOD-UHFFFAOYSA-N
XLogP0.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-(methoxymethyl)carbamate
CID 12599260
1-ethoxy-3-ethylideneurea
CID 141099937
(Z)-N-(methoxymethyl)but-2-en-2-amine
CID 163470878
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
N-(methoxymethyl)hexadecanamide
CID 59805196
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
1-ethenyl-3-ethylideneurea
CID 140971164
1-ethylidene-3-tridec-3-enylurea
CID 141039012
(methoxymethylidenecarbamoylamino)methyl 2-methylprop-2-enoate
CID 139748440
methyl N'-ethyl-N-ethylidenecarbamimidate
CID 174088080
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
4-(methoxymethylamino)-4-oxobutanoic acid
CID 121230669

Frequently Asked Questions

What is the IUPAC name of 1-ethylidene-3-(methoxymethyl)urea?
The IUPAC name of 1-ethylidene-3-(methoxymethyl)urea (CID 174418231) is 1-ethylidene-3-(methoxymethyl)urea.
What is the SMILES notation for 1-ethylidene-3-(methoxymethyl)urea?
The canonical SMILES for 1-ethylidene-3-(methoxymethyl)urea is CC=NC(=O)NCOC.
What is the InChIKey of 1-ethylidene-3-(methoxymethyl)urea?
The InChIKey is OJUFQFVYEKJOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-6-5(8)7-4-9-2/h3H,4H2,1-2H3,(H,7,8).
What are the key properties of 1-ethylidene-3-(methoxymethyl)urea?
1-ethylidene-3-(methoxymethyl)urea has a molecular weight of 130.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-3-(methoxymethyl)urea is sourced from PubChem (CID 174418231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).