3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea

C10H18N2O — CID 108915860

IUPAC3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N/C=C/C1CC1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)10(13)11-8-7-9-5-6-9/h7-9H,3-6H2,1-2H3,(H,11,13)/b8-7+
InChIKeyXVWKLGPSGIBUBV-BQYQJAHWSA-N
MW182.27 g/mol
LogP1.96
Rot. Bonds4

About 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea

3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea (PubChem CID 108915860) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea
PubChem CID108915860
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N/C=C/C1CC1
InChIInChI=1S/C10H18N2O/c1-3-12(4-2)10(13)11-8-7-9-5-6-9/h7-9H,3-6H2,1-2H3,(H,11,13)/b8-7+
InChIKeyXVWKLGPSGIBUBV-BQYQJAHWSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea?
The IUPAC name of 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea (CID 108915860) is 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea?
The canonical SMILES for 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea is CCN(CC)C(=O)N/C=C/C1CC1.
What is the InChIKey of 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea?
The InChIKey is XVWKLGPSGIBUBV-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-12(4-2)10(13)11-8-7-9-5-6-9/h7-9H,3-6H2,1-2H3,(H,11,13)/b8-7+.
What are the key properties of 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea?
3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea has a molecular weight of 182.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea is sourced from PubChem (CID 108915860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).