3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea

C12H22N2O2 — CID 110875840

IUPAC3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRNYVRUSDWCBACH-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea

3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 110875840) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID110875840
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRNYVRUSDWCBACH-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 110875840) is 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is RNYVRUSDWCBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(8-10-6-7-16-9-10)12(15)13-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 110875840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).