8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

C10H18ClNO — CID 70504469

IUPAC8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESC=CCN1C2CCC1CC(O)C2.Cl
InChIInChI=1S/C10H17NO.ClH/c1-2-5-11-8-3-4-9(11)7-10(12)6-8;/h2,8-10,12H,1,3-7H2;1H
InChIKeyQRXHYYJZTFRHQL-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.58
Rot. Bonds2

About 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (PubChem CID 70504469) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
PubChem CID70504469
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
SMILESC=CCN1C2CCC1CC(O)C2.Cl
InChIInChI=1S/C10H17NO.ClH/c1-2-5-11-8-3-4-9(11)7-10(12)6-8;/h2,8-10,12H,1,3-7H2;1H
InChIKeyQRXHYYJZTFRHQL-UHFFFAOYSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The IUPAC name of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride (CID 70504469) is 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride.
What is the SMILES notation for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The canonical SMILES for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is C=CCN1C2CCC1CC(O)C2.Cl.
What is the InChIKey of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
The InChIKey is QRXHYYJZTFRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-2-5-11-8-3-4-9(11)7-10(12)6-8;/h2,8-10,12H,1,3-7H2;1H.
What are the key properties of 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride?
8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride is sourced from PubChem (CID 70504469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).