8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride

C7H10ClNO2 — CID 79887260

IUPAC8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride
SMILESO=C(Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C7H10ClNO2/c8-7(10)9-3-5-1-2-6(4-9)11-5/h5-6H,1-4H2
InChIKeyGHUCFXDDBIMKKN-UHFFFAOYSA-N
MW175.61 g/mol
LogP1.21
Rot. Bonds

About 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride

8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride (PubChem CID 79887260) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride.

Molecular Properties

Compound Name8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride
PubChem CID79887260
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Name8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride
SMILESO=C(Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C7H10ClNO2/c8-7(10)9-3-5-1-2-6(4-9)11-5/h5-6H,1-4H2
InChIKeyGHUCFXDDBIMKKN-UHFFFAOYSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-one
CID 66369572
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217
Ethyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370918
(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 68914815
8-Oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69490988
Propan-2-yl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 116656545
Methyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 121599135
1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]ethanone
CID 131163077
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 142421390
2,2-Dimethylpropane;8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 142456381

Frequently Asked Questions

What is the IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride?
The IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride (CID 79887260) is 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride.
What is the SMILES notation for 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride?
The canonical SMILES for 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride is O=C(Cl)N1CC2CCC(C1)O2.
What is the InChIKey of 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride?
The InChIKey is GHUCFXDDBIMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2/c8-7(10)9-3-5-1-2-6(4-9)11-5/h5-6H,1-4H2.
What are the key properties of 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride?
8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride has a molecular weight of 175.61 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride is sourced from PubChem (CID 79887260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).