1,1-bis(2-ethenoxyethyl)urea

C9H16N2O3 — CID 154099655

IUPAC1,1-bis(2-ethenoxyethyl)urea
SMILESC=COCCN(CCOC=C)C(N)=O
InChIInChI=1S/C9H16N2O3/c1-3-13-7-5-11(9(10)12)6-8-14-4-2/h3-4H,1-2,5-8H2,(H2,10,12)
InChIKeyYQYRLBBLSBXFHF-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.69
Rot. Bonds8

About 1,1-bis(2-ethenoxyethyl)urea

1,1-bis(2-ethenoxyethyl)urea (PubChem CID 154099655) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,1-bis(2-ethenoxyethyl)urea.

Molecular Properties

Compound Name1,1-bis(2-ethenoxyethyl)urea
PubChem CID154099655
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1,1-bis(2-ethenoxyethyl)urea
SMILESC=COCCN(CCOC=C)C(N)=O
InChIInChI=1S/C9H16N2O3/c1-3-13-7-5-11(9(10)12)6-8-14-4-2/h3-4H,1-2,5-8H2,(H2,10,12)
InChIKeyYQYRLBBLSBXFHF-UHFFFAOYSA-N
XLogP0.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(diethylamino)ethyl]-1-(2-methoxyethyl)urea
CID 91514388
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
2-aminoacetic acid;2-ethenoxyethanamine
CID 174772659
N-(2-ethenoxyethoxymethyl)-N-ethylprop-2-enamide
CID 118885927
2-ethenoxyethyl 2,2-dimethylbutanoate
CID 21026949
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
1-ethenoxy-2-methoxyethane
CID 15457
acetic acid;2-ethenoxyethanol
CID 71400985
2-[carbamoyl(hydroxymethyl)amino]ethyl 2-methylprop-2-enoate
CID 139748452
N-(2-ethenoxyethyl)-N-methylbenzamide
CID 154204168
1-(2-methoxyethyl)-1-(2-phenoxyethyl)urea
CID 173040032

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-ethenoxyethyl)urea?
The IUPAC name of 1,1-bis(2-ethenoxyethyl)urea (CID 154099655) is 1,1-bis(2-ethenoxyethyl)urea.
What is the SMILES notation for 1,1-bis(2-ethenoxyethyl)urea?
The canonical SMILES for 1,1-bis(2-ethenoxyethyl)urea is C=COCCN(CCOC=C)C(N)=O.
What is the InChIKey of 1,1-bis(2-ethenoxyethyl)urea?
The InChIKey is YQYRLBBLSBXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-13-7-5-11(9(10)12)6-8-14-4-2/h3-4H,1-2,5-8H2,(H2,10,12).
What are the key properties of 1,1-bis(2-ethenoxyethyl)urea?
1,1-bis(2-ethenoxyethyl)urea has a molecular weight of 200.24 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-ethenoxyethyl)urea is sourced from PubChem (CID 154099655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).