1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea

C10H17FN2O — CID 167955508

IUPAC1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea
SMILESCN(C(=O)NC1CCC(F)C1)C1CC1
InChIInChI=1S/C10H17FN2O/c1-13(9-4-5-9)10(14)12-8-3-2-7(11)6-8/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyLPOWNKULRXAOEA-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.68
Rot. Bonds2

About 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea

1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea (PubChem CID 167955508) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea
PubChem CID167955508
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea
SMILESCN(C(=O)NC1CCC(F)C1)C1CC1
InChIInChI=1S/C10H17FN2O/c1-13(9-4-5-9)10(14)12-8-3-2-7(11)6-8/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyLPOWNKULRXAOEA-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea (CID 167955508) is 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea is CN(C(=O)NC1CCC(F)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea?
The InChIKey is LPOWNKULRXAOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-13(9-4-5-9)10(14)12-8-3-2-7(11)6-8/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea?
1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea has a molecular weight of 200.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-fluorocyclopentyl)-1-methylurea is sourced from PubChem (CID 167955508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).