1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea

C11H20N2O2 — CID 108911663

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-8-13-11(14)12-7-6-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,12,13,14)/b7-6+
InChIKeyATZUGWDNPOXTOA-VOTSOKGWSA-N
MW212.29 g/mol
LogP1.64
Rot. Bonds5

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

1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea (PubChem CID 108911663) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea
PubChem CID108911663
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N/C=C/C1CCCC1
InChIInChI=1S/C11H20N2O2/c1-15-9-8-13-11(14)12-7-6-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,12,13,14)/b7-6+
InChIKeyATZUGWDNPOXTOA-VOTSOKGWSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.64
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-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea (CID 108911663) is 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea is COCCNC(=O)N/C=C/C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea?
The InChIKey is ATZUGWDNPOXTOA-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-9-8-13-11(14)12-7-6-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H2,12,13,14)/b7-6+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108911663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).