cyclopentylcarbamoperoxoic acid

C6H11NO3 — CID 143557914

IUPACcyclopentylcarbamoperoxoic acid
SMILESO=C(NC1CCCC1)OO
InChIInChI=1S/C6H11NO3/c8-6(10-9)7-5-3-1-2-4-5/h5,9H,1-4H2,(H,7,8)
InChIKeyJDTZSIWZBKRYIW-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.13
Rot. Bonds1

About cyclopentylcarbamoperoxoic acid

cyclopentylcarbamoperoxoic acid (PubChem CID 143557914) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is cyclopentylcarbamoperoxoic acid.

Molecular Properties

Compound Namecyclopentylcarbamoperoxoic acid
PubChem CID143557914
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namecyclopentylcarbamoperoxoic acid
SMILESO=C(NC1CCCC1)OO
InChIInChI=1S/C6H11NO3/c8-6(10-9)7-5-3-1-2-4-5/h5,9H,1-4H2,(H,7,8)
InChIKeyJDTZSIWZBKRYIW-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-cyclopentylcarbamate
CID 127539095
methyl N-cyclohexadecylcarbamate
CID 131977131
cyclododecyl N-cyclobutylcarbamate
CID 135210614
propan-2-yl N-cyclooctylcarbamate
CID 116653938
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264
2-bromoethyl N-cyclohexylcarbamate
CID 112683003
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
1-cyclobutyl-3-cyclohexylurea
CID 17217147

Frequently Asked Questions

What is the IUPAC name of cyclopentylcarbamoperoxoic acid?
The IUPAC name of cyclopentylcarbamoperoxoic acid (CID 143557914) is cyclopentylcarbamoperoxoic acid.
What is the SMILES notation for cyclopentylcarbamoperoxoic acid?
The canonical SMILES for cyclopentylcarbamoperoxoic acid is O=C(NC1CCCC1)OO.
What is the InChIKey of cyclopentylcarbamoperoxoic acid?
The InChIKey is JDTZSIWZBKRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(10-9)7-5-3-1-2-4-5/h5,9H,1-4H2,(H,7,8).
What are the key properties of cyclopentylcarbamoperoxoic acid?
cyclopentylcarbamoperoxoic acid has a molecular weight of 145.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylcarbamoperoxoic acid is sourced from PubChem (CID 143557914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).