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

C13H22N2O — CID 108911669

IUPAC1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NC1CCCC1
InChIInChI=1S/C13H22N2O/c16-13(15-12-7-3-4-8-12)14-10-9-11-5-1-2-6-11/h9-12H,1-8H2,(H2,14,15,16)/b10-9+
InChIKeyKMDVJPUPDVMVOJ-MDZDMXLPSA-N
MW222.33 g/mol
LogP2.93
Rot. Bonds3

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

1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea (PubChem CID 108911669) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea
PubChem CID108911669
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea
SMILESO=C(N/C=C/C1CCCC1)NC1CCCC1
InChIInChI=1S/C13H22N2O/c16-13(15-12-7-3-4-8-12)14-10-9-11-5-1-2-6-11/h9-12H,1-8H2,(H2,14,15,16)/b10-9+
InChIKeyKMDVJPUPDVMVOJ-MDZDMXLPSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[(E)-2-cyclopropylethenyl]urea
CID 108915717
1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea
CID 108910912
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
1-[(E)-2-cyclopentylethenyl]-3-(3-methylbutyl)urea
CID 108911914
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312
1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108911800
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-cyclopentyl-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108913852
1-cyclododecyl-3-(cyclohexylidenemethyl)urea
CID 108912488
1-cyclododecyl-3-(cyclopentylidenemethyl)urea
CID 108913552
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea (CID 108911669) is 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea is O=C(N/C=C/C1CCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea?
The InChIKey is KMDVJPUPDVMVOJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(15-12-7-3-4-8-12)14-10-9-11-5-1-2-6-11/h9-12H,1-8H2,(H2,14,15,16)/b10-9+.
What are the key properties of 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea?
1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea has a molecular weight of 222.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(E)-2-cyclopentylethenyl]urea is sourced from PubChem (CID 108911669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).