3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea

C10H18N2O2 — CID 108890517

IUPAC3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCOC
InChIInChI=1S/C10H18N2O2/c1-4-7-12(8-5-2)10(13)11-6-9-14-3/h4-5H,1-2,6-9H2,3H3,(H,11,13)
InChIKeyRHQGWGJYXVSNLG-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.02
Rot. Bonds7

About 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea

3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea (PubChem CID 108890517) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea
PubChem CID108890517
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea
SMILESC=CCN(CC=C)C(=O)NCCOC
InChIInChI=1S/C10H18N2O2/c1-4-7-12(8-5-2)10(13)11-6-9-14-3/h4-5H,1-2,6-9H2,3H3,(H,11,13)
InChIKeyRHQGWGJYXVSNLG-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea?
The IUPAC name of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea (CID 108890517) is 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea?
The canonical SMILES for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea is C=CCN(CC=C)C(=O)NCCOC.
What is the InChIKey of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea?
The InChIKey is RHQGWGJYXVSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-7-12(8-5-2)10(13)11-6-9-14-3/h4-5H,1-2,6-9H2,3H3,(H,11,13).
What are the key properties of 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea?
3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea has a molecular weight of 198.27 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,1-bis(prop-2-enyl)urea is sourced from PubChem (CID 108890517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).