2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride

C8H14ClNO2 — CID 87331547

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO2.ClH/c10-4-3-9-5-7-1-2-8(6-9)11-7;/h4,7-8H,1-3,5-6H2;1H
InChIKeyMPSJLGYBCHBNHT-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.47
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride (PubChem CID 87331547) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
PubChem CID87331547
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
SMILESCl.O=CCN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO2.ClH/c10-4-3-9-5-7-1-2-8(6-9)11-7;/h4,7-8H,1-3,5-6H2;1H
InChIKeyMPSJLGYBCHBNHT-UHFFFAOYSA-N
XLogP0.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
CID 66394065
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde;hydrochloride
CID 87331556
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde
CID 87331557
2-{8-Oxa-3-azabicyclo[3.2.1]octan-3-yl}acetic acid hydrochloride
CID 176955983
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-2-one
CID 178612628
2,2-Dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
CID 66372165
Propan-2-yl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66391346
Methyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66391542
3-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
CID 66391749
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-one
CID 66391752
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-one
CID 66392127

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride (CID 87331547) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride is Cl.O=CCN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride?
The InChIKey is MPSJLGYBCHBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-4-3-9-5-7-1-2-8(6-9)11-7;/h4,7-8H,1-3,5-6H2;1H.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride is sourced from PubChem (CID 87331547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).