1-ethoxy-3-ethylideneurea

C5H10N2O2 — CID 141099937

IUPAC1-ethoxy-3-ethylideneurea
SMILESCC=NC(=O)NOCC
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)7-9-4-2/h3H,4H2,1-2H3,(H,7,8)
InChIKeyYASSCCLNVGZWNC-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.74
Rot. Bonds2

About 1-ethoxy-3-ethylideneurea

1-ethoxy-3-ethylideneurea (PubChem CID 141099937) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 1-ethoxy-3-ethylideneurea.

Molecular Properties

Compound Name1-ethoxy-3-ethylideneurea
PubChem CID141099937
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name1-ethoxy-3-ethylideneurea
SMILESCC=NC(=O)NOCC
InChIInChI=1S/C5H10N2O2/c1-3-6-5(8)7-9-4-2/h3H,4H2,1-2H3,(H,7,8)
InChIKeyYASSCCLNVGZWNC-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-methylpropanamide
CID 60717901
N-ethoxy-2-oxoacetamide
CID 19818586
1-ethylidene-3-(methoxymethyl)urea
CID 174418231
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792
ethyl (Z)-3-amino-2-(ethylideneamino)but-2-enoate
CID 143409146
N-ethoxy-4-hydroxybutanamide
CID 79191598
N-ethoxy-2,2-dimethylpropanamide
CID 60717899
methyl N'-ethyl-N-ethylidenecarbamimidate
CID 174088080
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
ethylideneurea;ethyl 2-methylprop-2-enoate
CID 175474375
N-ethoxy-4-(methylamino)butanamide
CID 64974589
N-ethoxy-2-methylbut-3-enamide
CID 143446399

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethylideneurea?
The IUPAC name of 1-ethoxy-3-ethylideneurea (CID 141099937) is 1-ethoxy-3-ethylideneurea.
What is the SMILES notation for 1-ethoxy-3-ethylideneurea?
The canonical SMILES for 1-ethoxy-3-ethylideneurea is CC=NC(=O)NOCC.
What is the InChIKey of 1-ethoxy-3-ethylideneurea?
The InChIKey is YASSCCLNVGZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-6-5(8)7-9-4-2/h3H,4H2,1-2H3,(H,7,8).
What are the key properties of 1-ethoxy-3-ethylideneurea?
1-ethoxy-3-ethylideneurea has a molecular weight of 130.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethylideneurea is sourced from PubChem (CID 141099937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).