1-ethyl-3-methylideneurea

C4H8N2O — CID 22063397

IUPAC1-ethyl-3-methylideneurea
SMILESC=NC(=O)NCC
InChIInChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2-3H2,1H3,(H,6,7)
InChIKeySWUMHSZNNZOBMZ-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.42
Rot. Bonds1

About 1-ethyl-3-methylideneurea

1-ethyl-3-methylideneurea (PubChem CID 22063397) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-ethyl-3-methylideneurea.

Molecular Properties

Compound Name1-ethyl-3-methylideneurea
PubChem CID22063397
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name1-ethyl-3-methylideneurea
SMILESC=NC(=O)NCC
InChIInChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2-3H2,1H3,(H,6,7)
InChIKeySWUMHSZNNZOBMZ-UHFFFAOYSA-N
XLogP0.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylideneurea?
The IUPAC name of 1-ethyl-3-methylideneurea (CID 22063397) is 1-ethyl-3-methylideneurea.
What is the SMILES notation for 1-ethyl-3-methylideneurea?
The canonical SMILES for 1-ethyl-3-methylideneurea is C=NC(=O)NCC.
What is the InChIKey of 1-ethyl-3-methylideneurea?
The InChIKey is SWUMHSZNNZOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2-3H2,1H3,(H,6,7).
What are the key properties of 1-ethyl-3-methylideneurea?
1-ethyl-3-methylideneurea has a molecular weight of 100.12 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylideneurea is sourced from PubChem (CID 22063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).