1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea

C12H18N4O3 — CID 141341885

IUPAC1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea
SMILESC=CCNC(=O)NC=COC=CNC(=O)NCC=C
InChIInChI=1S/C12H18N4O3/c1-3-5-13-11(17)15-7-9-19-10-8-16-12(18)14-6-4-2/h3-4,7-10H,1-2,5-6H2,(H2,13,15,17)(H2,14,16,18)
InChIKeyKJVAMJWIEINQKP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.92
Rot. Bonds8

About 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea

1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea (PubChem CID 141341885) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea
PubChem CID141341885
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea
SMILESC=CCNC(=O)NC=COC=CNC(=O)NCC=C
InChIInChI=1S/C12H18N4O3/c1-3-5-13-11(17)15-7-9-19-10-8-16-12(18)14-6-4-2/h3-4,7-10H,1-2,5-6H2,(H2,13,15,17)(H2,14,16,18)
InChIKeyKJVAMJWIEINQKP-UHFFFAOYSA-N
XLogP0.92
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(prop-2-enylcarbamoyl)formamide
CID 87901285
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
N-(prop-2-enylcarbamoyl)but-3-enamide
CID 87949156
methyl 3-(prop-2-enylcarbamoylamino)propanoate
CID 60706179
prop-2-enylcarbamic acid;hydrate
CID 173458484
1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-prop-2-enylurea
CID 87348247
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
2-(prop-2-enylcarbamoylamino)propanediamide
CID 36507216
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea (CID 141341885) is 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea is C=CCNC(=O)NC=COC=CNC(=O)NCC=C.
What is the InChIKey of 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea?
The InChIKey is KJVAMJWIEINQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-5-13-11(17)15-7-9-19-10-8-16-12(18)14-6-4-2/h3-4,7-10H,1-2,5-6H2,(H2,13,15,17)(H2,14,16,18).
What are the key properties of 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea?
1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea has a molecular weight of 266.30 g/mol, XLogP of 0.92, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[2-[2-(prop-2-enylcarbamoylamino)ethenoxy]ethenyl]urea is sourced from PubChem (CID 141341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).