3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea

C12H22N2O2 — CID 108911803

IUPAC3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)N/C=C/C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-14(9-10-15)12(16)13-8-7-11-5-3-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3,(H,13,16)/b8-7+
InChIKeyCZYQZPCPRKTAHR-BQYQJAHWSA-N
MW226.32 g/mol
LogP1.71
Rot. Bonds5

About 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 108911803) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID108911803
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)N/C=C/C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-14(9-10-15)12(16)13-8-7-11-5-3-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3,(H,13,16)/b8-7+
InChIKeyCZYQZPCPRKTAHR-BQYQJAHWSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 108911803) is 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)N/C=C/C1CCCC1.
What is the InChIKey of 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is CZYQZPCPRKTAHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-14(9-10-15)12(16)13-8-7-11-5-3-4-6-11/h7-8,11,15H,2-6,9-10H2,1H3,(H,13,16)/b8-7+.
What are the key properties of 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclopentylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108911803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).