1-cyclohex-3-en-1-yl-3-cyclopentylurea

C12H20N2O — CID 115640218

IUPAC1-cyclohex-3-en-1-yl-3-cyclopentylurea
SMILESO=C(NC1CC=CCC1)NC1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-2,10-11H,3-9H2,(H2,13,14,15)
InChIKeyXMSMNTYOBQIKIU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.34
Rot. Bonds2

About 1-cyclohex-3-en-1-yl-3-cyclopentylurea

1-cyclohex-3-en-1-yl-3-cyclopentylurea (PubChem CID 115640218) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-cyclopentylurea.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-cyclopentylurea
PubChem CID115640218
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyclohex-3-en-1-yl-3-cyclopentylurea
SMILESO=C(NC1CC=CCC1)NC1CCCC1
InChIInChI=1S/C12H20N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-2,10-11H,3-9H2,(H2,13,14,15)
InChIKeyXMSMNTYOBQIKIU-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-cyclopentylurea?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-cyclopentylurea (CID 115640218) is 1-cyclohex-3-en-1-yl-3-cyclopentylurea.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-cyclopentylurea?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-cyclopentylurea is O=C(NC1CC=CCC1)NC1CCCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-cyclopentylurea?
The InChIKey is XMSMNTYOBQIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h1-2,10-11H,3-9H2,(H2,13,14,15).
What are the key properties of 1-cyclohex-3-en-1-yl-3-cyclopentylurea?
1-cyclohex-3-en-1-yl-3-cyclopentylurea has a molecular weight of 208.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-3-cyclopentylurea is sourced from PubChem (CID 115640218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).