1-tert-butyl-3-(1-cyanocyclopentyl)urea

C11H19N3O — CID 21316841

IUPAC1-tert-butyl-3-(1-cyanocyclopentyl)urea
SMILESCC(C)(C)NC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)13-9(15)14-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyJEPRBIZLXSQUMP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.92
Rot. Bonds1

About 1-tert-butyl-3-(1-cyanocyclopentyl)urea

1-tert-butyl-3-(1-cyanocyclopentyl)urea (PubChem CID 21316841) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-cyanocyclopentyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-cyanocyclopentyl)urea
PubChem CID21316841
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-tert-butyl-3-(1-cyanocyclopentyl)urea
SMILESCC(C)(C)NC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)13-9(15)14-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H2,13,14,15)
InChIKeyJEPRBIZLXSQUMP-UHFFFAOYSA-N
XLogP1.92
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
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-tert-butyl-3-(1-cyanocyclopentyl)urea?
The IUPAC name of 1-tert-butyl-3-(1-cyanocyclopentyl)urea (CID 21316841) is 1-tert-butyl-3-(1-cyanocyclopentyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-cyanocyclopentyl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-cyanocyclopentyl)urea is CC(C)(C)NC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-tert-butyl-3-(1-cyanocyclopentyl)urea?
The InChIKey is JEPRBIZLXSQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)13-9(15)14-11(8-12)6-4-5-7-11/h4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-(1-cyanocyclopentyl)urea?
1-tert-butyl-3-(1-cyanocyclopentyl)urea has a molecular weight of 209.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-cyanocyclopentyl)urea is sourced from PubChem (CID 21316841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).