1-ethenyl-1-ethyl-3-ethylideneurea

C7H12N2O — CID 141081531

IUPAC1-ethenyl-1-ethyl-3-ethylideneurea
SMILESC=CN(CC)C(=O)N=CC
InChIInChI=1S/C7H12N2O/c1-4-8-7(10)9(5-2)6-3/h4-5H,2,6H2,1,3H3
InChIKeyVKJYERRUDKJWMU-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.66
Rot. Bonds2

About 1-ethenyl-1-ethyl-3-ethylideneurea

1-ethenyl-1-ethyl-3-ethylideneurea (PubChem CID 141081531) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-ethenyl-1-ethyl-3-ethylideneurea.

Molecular Properties

Compound Name1-ethenyl-1-ethyl-3-ethylideneurea
PubChem CID141081531
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-ethenyl-1-ethyl-3-ethylideneurea
SMILESC=CN(CC)C(=O)N=CC
InChIInChI=1S/C7H12N2O/c1-4-8-7(10)9(5-2)6-3/h4-5H,2,6H2,1,3H3
InChIKeyVKJYERRUDKJWMU-UHFFFAOYSA-N
XLogP1.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91114731
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
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1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
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(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
N-ethenyl-N-ethyl-N',3-dimethylbut-2-enimidamide
CID 163385818
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
N-ethenyl-N-ethyl-3-methylpent-1-en-2-amine
CID 137427833
[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
CID 141109880
N-butyl-N-ethenyldecanamide
CID 87458480
N-ethenyl-N-icosylhenicosanamide
CID 20565296
N,N-diethylbut-3-enamide
CID 12545744

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-ethyl-3-ethylideneurea?
The IUPAC name of 1-ethenyl-1-ethyl-3-ethylideneurea (CID 141081531) is 1-ethenyl-1-ethyl-3-ethylideneurea.
What is the SMILES notation for 1-ethenyl-1-ethyl-3-ethylideneurea?
The canonical SMILES for 1-ethenyl-1-ethyl-3-ethylideneurea is C=CN(CC)C(=O)N=CC.
What is the InChIKey of 1-ethenyl-1-ethyl-3-ethylideneurea?
The InChIKey is VKJYERRUDKJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-8-7(10)9(5-2)6-3/h4-5H,2,6H2,1,3H3.
What are the key properties of 1-ethenyl-1-ethyl-3-ethylideneurea?
1-ethenyl-1-ethyl-3-ethylideneurea has a molecular weight of 140.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-ethyl-3-ethylideneurea is sourced from PubChem (CID 141081531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).