1-cyclopentyl-3-(oxolan-3-yl)urea

C10H18N2O2 — CID 115758222

IUPAC1-cyclopentyl-3-(oxolan-3-yl)urea
SMILESO=C(NC1CCCC1)NC1CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(11-8-3-1-2-4-8)12-9-5-6-14-7-9/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyCHEDEYWCFAFUGB-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.02
Rot. Bonds2

About 1-cyclopentyl-3-(oxolan-3-yl)urea

1-cyclopentyl-3-(oxolan-3-yl)urea (PubChem CID 115758222) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxolan-3-yl)urea
PubChem CID115758222
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-cyclopentyl-3-(oxolan-3-yl)urea
SMILESO=C(NC1CCCC1)NC1CCOC1
InChIInChI=1S/C10H18N2O2/c13-10(11-8-3-1-2-4-8)12-9-5-6-14-7-9/h8-9H,1-7H2,(H2,11,12,13)
InChIKeyCHEDEYWCFAFUGB-UHFFFAOYSA-N
XLogP1.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(oxolan-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(oxolan-3-yl)urea (CID 115758222) is 1-cyclopentyl-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(oxolan-3-yl)urea is O=C(NC1CCCC1)NC1CCOC1.
What is the InChIKey of 1-cyclopentyl-3-(oxolan-3-yl)urea?
The InChIKey is CHEDEYWCFAFUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(11-8-3-1-2-4-8)12-9-5-6-14-7-9/h8-9H,1-7H2,(H2,11,12,13).
What are the key properties of 1-cyclopentyl-3-(oxolan-3-yl)urea?
1-cyclopentyl-3-(oxolan-3-yl)urea has a molecular weight of 198.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).