1-ethenyl-3-ethylidene-1-propylurea

C8H14N2O — CID 91114731

IUPAC1-ethenyl-3-ethylidene-1-propylurea
SMILESC=CN(CCC)C(=O)N=CC
InChIInChI=1S/C8H14N2O/c1-4-7-10(6-3)8(11)9-5-2/h5-6H,3-4,7H2,1-2H3
InChIKeyJXXFHTORLHZCFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds3

About 1-ethenyl-3-ethylidene-1-propylurea

1-ethenyl-3-ethylidene-1-propylurea (PubChem CID 91114731) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethenyl-3-ethylidene-1-propylurea.

Molecular Properties

Compound Name1-ethenyl-3-ethylidene-1-propylurea
PubChem CID91114731
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethenyl-3-ethylidene-1-propylurea
SMILESC=CN(CCC)C(=O)N=CC
InChIInChI=1S/C8H14N2O/c1-4-7-10(6-3)8(11)9-5-2/h5-6H,3-4,7H2,1-2H3
InChIKeyJXXFHTORLHZCFH-UHFFFAOYSA-N
XLogP2.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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

1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-butyl-N-ethenyldecanamide
CID 87458480
N-ethenyl-N-icosylhenicosanamide
CID 20565296
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
N-(methylideneamino)-N-propylprop-2-enamide
CID 145450395
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
CID 141038532
(2Z)-N-[2-(dimethylamino)ethyl]-2-(ethylideneamino)penta-2,4-dienamide
CID 156869327
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylidene-1-propylurea?
The IUPAC name of 1-ethenyl-3-ethylidene-1-propylurea (CID 91114731) is 1-ethenyl-3-ethylidene-1-propylurea.
What is the SMILES notation for 1-ethenyl-3-ethylidene-1-propylurea?
The canonical SMILES for 1-ethenyl-3-ethylidene-1-propylurea is C=CN(CCC)C(=O)N=CC.
What is the InChIKey of 1-ethenyl-3-ethylidene-1-propylurea?
The InChIKey is JXXFHTORLHZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-7-10(6-3)8(11)9-5-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-ethenyl-3-ethylidene-1-propylurea?
1-ethenyl-3-ethylidene-1-propylurea has a molecular weight of 154.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylidene-1-propylurea is sourced from PubChem (CID 91114731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).