1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea

C12H20N2O2 — CID 108913106

IUPAC1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NC1CCCC1
InChIInChI=1S/C12H20N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h9,11H,1-8H2,(H2,13,14,15)
InChIKeyUEBHOIHZCOKUTP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.92
Rot. Bonds2

About 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea

1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913106) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913106
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NC1CCCC1
InChIInChI=1S/C12H20N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h9,11H,1-8H2,(H2,13,14,15)
InChIKeyUEBHOIHZCOKUTP-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea (CID 108913106) is 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is UEBHOIHZCOKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h9,11H,1-8H2,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea?
1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 224.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).