3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea

C13H20N2O2 — CID 108913175

IUPAC3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC=C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(16)14-11-12-5-9-17-10-6-12/h3-4,11H,1-2,5-10H2,(H,14,16)
InChIKeyIJJRCVKRZNJOQU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.06
Rot. Bonds5

About 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea

3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea (PubChem CID 108913175) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea
PubChem CID108913175
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NC=C1CCOCC1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(16)14-11-12-5-9-17-10-6-12/h3-4,11H,1-2,5-10H2,(H,14,16)
InChIKeyIJJRCVKRZNJOQU-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea (CID 108913175) is 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NC=C1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is IJJRCVKRZNJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(16)14-11-12-5-9-17-10-6-12/h3-4,11H,1-2,5-10H2,(H,14,16).
What are the key properties of 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea?
3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108913175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).