1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane

C5H11IN2O6 — CID 89174407

IUPAC1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane
SMILESON(O)OC1CC(I)CC1ON(O)O
InChIInChI=1S/C5H11IN2O6/c6-3-1-4(13-7(9)10)5(2-3)14-8(11)12/h3-5,9-12H,1-2H2
InChIKeyIPBDBGFDLWYTGD-UHFFFAOYSA-N
MW322.06 g/mol
LogP0.34
Rot. Bonds4

About 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane

1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane (PubChem CID 89174407) has the molecular formula C5H11IN2O6 and a molecular weight of 322.06 g/mol. Its IUPAC name is 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane.

Molecular Properties

Compound Name1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane
PubChem CID89174407
Molecular FormulaC5H11IN2O6
Molecular Weight322.06 g/mol
Exact Mass321.97
IUPAC Name1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane
SMILESON(O)OC1CC(I)CC1ON(O)O
InChIInChI=1S/C5H11IN2O6/c6-3-1-4(13-7(9)10)5(2-3)14-8(11)12/h3-5,9-12H,1-2H2
InChIKeyIPBDBGFDLWYTGD-UHFFFAOYSA-N
XLogP0.34
TPSA105.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.06
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane 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

1,3-diiodocyclobutane
CID 522914
2,5-diiodo-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 130334705
3,6-diiodobicyclo[3.1.1]heptane
CID 170185252
(3-iodocyclobutyl) carbamate
CID 175447577
1,3-dibromo-5-iodocyclohexane
CID 122583756
1-iodo-3-(iodomethyl)cyclobutane
CID 122661974
N-(3-iodocyclobutyl)acetamide
CID 145126673
5-iodocyclohex-2-en-1-ol
CID 146915953
4-iodo-2,6-dimethylcyclohexan-1-amine
CID 171580818
cis-(1R,3S)-3-iodocyclohexan-1-ol
CID 89192382
methyl (4S,6S)-6-hydroxy-4-iodocyclohexene-1-carboxylate
CID 118018354
[(2S)-2-iodocyclopropyl]methanol
CID 122684903

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane?
The IUPAC name of 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane (CID 89174407) is 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane.
What is the SMILES notation for 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane?
The canonical SMILES for 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane is ON(O)OC1CC(I)CC1ON(O)O.
What is the InChIKey of 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane?
The InChIKey is IPBDBGFDLWYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2O6/c6-3-1-4(13-7(9)10)5(2-3)14-8(11)12/h3-5,9-12H,1-2H2.
What are the key properties of 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane?
1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane has a molecular weight of 322.06 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(dihydroxyamino)oxy]-4-iodocyclopentane is sourced from PubChem (CID 89174407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).