1-(phenoxymethyl)-3-prop-2-enylurea

C11H14N2O2 — CID 108888930

IUPAC1-(phenoxymethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCOc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-2-8-12-11(14)13-9-15-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)
InChIKeyWVABEWBPEWNTKW-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.51
Rot. Bonds5

About 1-(phenoxymethyl)-3-prop-2-enylurea

1-(phenoxymethyl)-3-prop-2-enylurea (PubChem CID 108888930) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(phenoxymethyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(phenoxymethyl)-3-prop-2-enylurea
PubChem CID108888930
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(phenoxymethyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NCOc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-2-8-12-11(14)13-9-15-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)
InChIKeyWVABEWBPEWNTKW-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
1-phenoxy-3-prop-2-enylurea
CID 119090624
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
1-butyl-3-(phenoxymethyl)urea
CID 108888779
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545
1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
CID 108888910
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
1-butan-2-yl-3-(phenoxymethyl)urea
CID 108888781

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-3-prop-2-enylurea?
The IUPAC name of 1-(phenoxymethyl)-3-prop-2-enylurea (CID 108888930) is 1-(phenoxymethyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(phenoxymethyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(phenoxymethyl)-3-prop-2-enylurea is C=CCNC(=O)NCOc1ccccc1.
What is the InChIKey of 1-(phenoxymethyl)-3-prop-2-enylurea?
The InChIKey is WVABEWBPEWNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-8-12-11(14)13-9-15-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14).
What are the key properties of 1-(phenoxymethyl)-3-prop-2-enylurea?
1-(phenoxymethyl)-3-prop-2-enylurea has a molecular weight of 206.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-3-prop-2-enylurea is sourced from PubChem (CID 108888930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).