1-cyclopentyl-3-iminourea

C6H11N3O — CID 89453047

IUPAC1-cyclopentyl-3-iminourea
SMILES[H]/N=N/C(=O)NC1CCCC1
InChIInChI=1S/C6H11N3O/c7-9-6(10)8-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,10)/b9-7+
InChIKeyXQXNRSAKHUGFMK-VQHVLOKHSA-N
MW141.17 g/mol
LogP1.67
Rot. Bonds1

About 1-cyclopentyl-3-iminourea

1-cyclopentyl-3-iminourea (PubChem CID 89453047) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-cyclopentyl-3-iminourea.

Molecular Properties

Compound Name1-cyclopentyl-3-iminourea
PubChem CID89453047
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-cyclopentyl-3-iminourea
SMILES[H]/N=N/C(=O)NC1CCCC1
InChIInChI=1S/C6H11N3O/c7-9-6(10)8-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,10)/b9-7+
InChIKeyXQXNRSAKHUGFMK-VQHVLOKHSA-N
XLogP1.67
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.67
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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Related Compounds

(3E)-1-cyclopentyl-3-(propan-2-ylcarbamoylimino)urea
CID 21045222
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-cyclohexylcarbamoyl chloride
CID 22252134
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
cyclohexylcarbamic acid;hydrate
CID 172719994
methyl N'-(cyclohexylcarbamoyl)carbamimidothioate
CID 13381776
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
cyclopentylcarbamoperoxoic acid
CID 143557914
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-iminourea?
The IUPAC name of 1-cyclopentyl-3-iminourea (CID 89453047) is 1-cyclopentyl-3-iminourea.
What is the SMILES notation for 1-cyclopentyl-3-iminourea?
The canonical SMILES for 1-cyclopentyl-3-iminourea is [H]/N=N/C(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-iminourea?
The InChIKey is XQXNRSAKHUGFMK-VQHVLOKHSA-N. The full InChI is InChI=1S/C6H11N3O/c7-9-6(10)8-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,10)/b9-7+.
What are the key properties of 1-cyclopentyl-3-iminourea?
1-cyclopentyl-3-iminourea has a molecular weight of 141.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-iminourea is sourced from PubChem (CID 89453047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).