1,3-dicyclopentyl-1-methylurea

C12H22N2O — CID 18624516

IUPAC1,3-dicyclopentyl-1-methylurea
SMILESCN(C(=O)NC1CCCC1)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-14(11-8-4-5-9-11)12(15)13-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyVHXTVIYKQPXLBT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.51
Rot. Bonds2

About 1,3-dicyclopentyl-1-methylurea

1,3-dicyclopentyl-1-methylurea (PubChem CID 18624516) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,3-dicyclopentyl-1-methylurea.

Molecular Properties

Compound Name1,3-dicyclopentyl-1-methylurea
PubChem CID18624516
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,3-dicyclopentyl-1-methylurea
SMILESCN(C(=O)NC1CCCC1)C1CCCC1
InChIInChI=1S/C12H22N2O/c1-14(11-8-4-5-9-11)12(15)13-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyVHXTVIYKQPXLBT-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopentyl-1-methylurea?
The IUPAC name of 1,3-dicyclopentyl-1-methylurea (CID 18624516) is 1,3-dicyclopentyl-1-methylurea.
What is the SMILES notation for 1,3-dicyclopentyl-1-methylurea?
The canonical SMILES for 1,3-dicyclopentyl-1-methylurea is CN(C(=O)NC1CCCC1)C1CCCC1.
What is the InChIKey of 1,3-dicyclopentyl-1-methylurea?
The InChIKey is VHXTVIYKQPXLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14(11-8-4-5-9-11)12(15)13-10-6-2-3-7-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1,3-dicyclopentyl-1-methylurea?
1,3-dicyclopentyl-1-methylurea has a molecular weight of 210.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopentyl-1-methylurea is sourced from PubChem (CID 18624516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).