1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea

C7H14N2O2 — CID 108909432

IUPAC1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCCOC
InChIInChI=1S/C7H14N2O2/c1-3-4-8-7(10)9-5-6-11-2/h3-4H,5-6H2,1-2H3,(H2,8,9,10)/b4-3+
InChIKeyXOEYHQKCBJPGCV-ONEGZZNKSA-N
MW158.20 g/mol
LogP0.47
Rot. Bonds4

About 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea

1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909432) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909432
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)NCCOC
InChIInChI=1S/C7H14N2O2/c1-3-4-8-7(10)9-5-6-11-2/h3-4H,5-6H2,1-2H3,(H2,8,9,10)/b4-3+
InChIKeyXOEYHQKCBJPGCV-ONEGZZNKSA-N
XLogP0.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea (CID 108909432) is 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)NCCOC.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is XOEYHQKCBJPGCV-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-8-7(10)9-5-6-11-2/h3-4H,5-6H2,1-2H3,(H2,8,9,10)/b4-3+.
What are the key properties of 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea?
1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea has a molecular weight of 158.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).