2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium

C5H11BNO2Re- — CID 154561593

IUPAC2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium
SMILESCB1OCC[N-]CCO1.[Re]
InChIInChI=1S/C5H11BNO2.Re/c1-6-8-4-2-7-3-5-9-6;/h2-5H2,1H3;/q-1;
InChIKeyNJLLMWQZGBLXKL-UHFFFAOYSA-N
MW314.17 g/mol
LogP0.52
Rot. Bonds

About 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium

2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium (PubChem CID 154561593) has the molecular formula C5H11BNO2Re- and a molecular weight of 314.17 g/mol. Its IUPAC name is 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium.

Molecular Properties

Compound Name2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium
PubChem CID154561593
Molecular FormulaC5H11BNO2Re-
Molecular Weight314.17 g/mol
Exact Mass315.04
IUPAC Name2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium
SMILESCB1OCC[N-]CCO1.[Re]
InChIInChI=1S/C5H11BNO2.Re/c1-6-8-4-2-7-3-5-9-6;/h2-5H2,1H3;/q-1;
InChIKeyNJLLMWQZGBLXKL-UHFFFAOYSA-N
XLogP0.52
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium 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

2-methyl-1,3,6,2-dioxazaborocane
CID 20769568
2,6-dimethyl-1,3,6,2-dioxazaborocane
CID 23568385
morpholin-4-ide;titanium
CID 151347751
ethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157276718
2,5-dimethyl-1,3,5,2-dioxazaborinane
CID 18339117
dichloropalladium;morpholin-4-ide
CID 168665096
chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)
CID 5259603
1-methyl-1-aza-4-azanidacycloheptane
CID 143249518
CID 6329161
CID 6329161
bis(trimethylsilyl)azanide;pyrrolidin-1-ide;tin(2+)
CID 15966182
azanidacyclopropane;palladium
CID 174648688
1-methylpiperazin-4-ide;uranium
CID 58228667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium?
The IUPAC name of 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium (CID 154561593) is 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium.
What is the SMILES notation for 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium?
The canonical SMILES for 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium is CB1OCC[N-]CCO1.[Re].
What is the InChIKey of 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium?
The InChIKey is NJLLMWQZGBLXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BNO2.Re/c1-6-8-4-2-7-3-5-9-6;/h2-5H2,1H3;/q-1;.
What are the key properties of 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium?
2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium has a molecular weight of 314.17 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxa-6-azanida-2-boracyclooctane;rhenium is sourced from PubChem (CID 154561593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).