(3E)-1-ethyl-3-ethylideneurea

C5H10N2O — CID 88803286

IUPAC(3E)-1-ethyl-3-ethylideneurea
SMILESC/C=N/C(=O)NCC
InChIInChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,4H2,1-2H3,(H,7,8)/b6-3+
InChIKeyTXCLFVQSOCNDGK-ZZXKWVIFSA-N
MW114.15 g/mol
LogP0.81
Rot. Bonds1

About (3E)-1-ethyl-3-ethylideneurea

(3E)-1-ethyl-3-ethylideneurea (PubChem CID 88803286) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (3E)-1-ethyl-3-ethylideneurea.

Molecular Properties

Compound Name(3E)-1-ethyl-3-ethylideneurea
PubChem CID88803286
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(3E)-1-ethyl-3-ethylideneurea
SMILESC/C=N/C(=O)NCC
InChIInChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,4H2,1-2H3,(H,7,8)/b6-3+
InChIKeyTXCLFVQSOCNDGK-ZZXKWVIFSA-N
XLogP0.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.81
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 (3E)-1-ethyl-3-ethylideneurea?
The IUPAC name of (3E)-1-ethyl-3-ethylideneurea (CID 88803286) is (3E)-1-ethyl-3-ethylideneurea.
What is the SMILES notation for (3E)-1-ethyl-3-ethylideneurea?
The canonical SMILES for (3E)-1-ethyl-3-ethylideneurea is C/C=N/C(=O)NCC.
What is the InChIKey of (3E)-1-ethyl-3-ethylideneurea?
The InChIKey is TXCLFVQSOCNDGK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-6-5(8)7-4-2/h3H,4H2,1-2H3,(H,7,8)/b6-3+.
What are the key properties of (3E)-1-ethyl-3-ethylideneurea?
(3E)-1-ethyl-3-ethylideneurea has a molecular weight of 114.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-3-ethylideneurea is sourced from PubChem (CID 88803286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).