(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea

C10H18N4O2 — CID 21045222

IUPAC(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea
SMILESCC(C)NC(=O)/N=N/C(=O)NC1CCCC1
InChIInChI=1S/C10H18N4O2/c1-7(2)11-9(15)13-14-10(16)12-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,12,16)/b14-13+
InChIKeyFHMHBSVEILUYKU-BUHFOSPRSA-N
MW226.28 g/mol
LogP2.21
Rot. Bonds2

About (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea

(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea (PubChem CID 21045222) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea.

Molecular Properties

Compound Name(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea
PubChem CID21045222
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea
SMILESCC(C)NC(=O)/N=N/C(=O)NC1CCCC1
InChIInChI=1S/C10H18N4O2/c1-7(2)11-9(15)13-14-10(16)12-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,12,16)/b14-13+
InChIKeyFHMHBSVEILUYKU-BUHFOSPRSA-N
XLogP2.21
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea?
The IUPAC name of (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea (CID 21045222) is (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea.
What is the SMILES notation for (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea?
The canonical SMILES for (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea is CC(C)NC(=O)/N=N/C(=O)NC1CCCC1.
What is the InChIKey of (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea?
The InChIKey is FHMHBSVEILUYKU-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)11-9(15)13-14-10(16)12-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,12,16)/b14-13+.
What are the key properties of (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea?
(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea has a molecular weight of 226.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea is sourced from PubChem (CID 21045222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).