nonylcarbamoperoxoic acid

C10H21NO3 — CID 140999734

IUPACnonylcarbamoperoxoic acid
SMILESCCCCCCCCCNC(=O)OO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8-9-11-10(12)14-13/h13H,2-9H2,1H3,(H,11,12)
InChIKeyNEJFNBCRWBCBAK-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.94
Rot. Bonds8

About nonylcarbamoperoxoic acid

nonylcarbamoperoxoic acid (PubChem CID 140999734) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is nonylcarbamoperoxoic acid.

Molecular Properties

Compound Namenonylcarbamoperoxoic acid
PubChem CID140999734
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namenonylcarbamoperoxoic acid
SMILESCCCCCCCCCNC(=O)OO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8-9-11-10(12)14-13/h13H,2-9H2,1H3,(H,11,12)
InChIKeyNEJFNBCRWBCBAK-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze nonylcarbamoperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-nonylcarbamate
CID 5102101
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
amino N-pentylcarbamate
CID 87397923
tert-butyl N-nonylcarbamate;ethane
CID 168941348
chloromethyl N-decylcarbamate
CID 177224854
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
azane;octyl N-octylcarbamate
CID 175531380
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of nonylcarbamoperoxoic acid?
The IUPAC name of nonylcarbamoperoxoic acid (CID 140999734) is nonylcarbamoperoxoic acid.
What is the SMILES notation for nonylcarbamoperoxoic acid?
The canonical SMILES for nonylcarbamoperoxoic acid is CCCCCCCCCNC(=O)OO.
What is the InChIKey of nonylcarbamoperoxoic acid?
The InChIKey is NEJFNBCRWBCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8-9-11-10(12)14-13/h13H,2-9H2,1H3,(H,11,12).
What are the key properties of nonylcarbamoperoxoic acid?
nonylcarbamoperoxoic acid has a molecular weight of 203.28 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonylcarbamoperoxoic acid is sourced from PubChem (CID 140999734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).