4-iodo-1,4-oxazepane

C5H10INO — CID 89294846

IUPAC4-iodo-1,4-oxazepane
SMILESIN1CCCOCC1
InChIInChI=1S/C5H10INO/c6-7-2-1-4-8-5-3-7/h1-5H2
InChIKeyYTIOPUNRVRRQMW-UHFFFAOYSA-N
MW227.04 g/mol
LogP1.06
Rot. Bonds

About 4-iodo-1,4-oxazepane

4-iodo-1,4-oxazepane (PubChem CID 89294846) has the molecular formula C5H10INO and a molecular weight of 227.04 g/mol. Its IUPAC name is 4-iodo-1,4-oxazepane.

Molecular Properties

Compound Name4-iodo-1,4-oxazepane
PubChem CID89294846
Molecular FormulaC5H10INO
Molecular Weight227.04 g/mol
Exact Mass226.98
IUPAC Name4-iodo-1,4-oxazepane
SMILESIN1CCCOCC1
InChIInChI=1S/C5H10INO/c6-7-2-1-4-8-5-3-7/h1-5H2
InChIKeyYTIOPUNRVRRQMW-UHFFFAOYSA-N
XLogP1.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
7-methyl-1,4,7-dioxazecane
CID 59020799
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
1,4-oxazepan-4-ylmethanethiol
CID 167082217
potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;chloride
CID 23689698
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
iodo-methyl-morpholin-4-ylborane
CID 174148183
1,4-oxazocan-4-amine
CID 163476617
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
6,6-difluoro-4-iodo-1,4-oxazepane
CID 147262160

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,4-oxazepane?
The IUPAC name of 4-iodo-1,4-oxazepane (CID 89294846) is 4-iodo-1,4-oxazepane.
What is the SMILES notation for 4-iodo-1,4-oxazepane?
The canonical SMILES for 4-iodo-1,4-oxazepane is IN1CCCOCC1.
What is the InChIKey of 4-iodo-1,4-oxazepane?
The InChIKey is YTIOPUNRVRRQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO/c6-7-2-1-4-8-5-3-7/h1-5H2.
What are the key properties of 4-iodo-1,4-oxazepane?
4-iodo-1,4-oxazepane has a molecular weight of 227.04 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,4-oxazepane is sourced from PubChem (CID 89294846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).