4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol

C10H17NO — CID 105365956

IUPAC4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=C(C)C1(O)CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-8(2)10(12)4-6-11-5-3-9(10)7-11/h9,12H,1,3-7H2,2H3
InChIKeyHRMGMKQEPGYNLU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds1

About 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol

4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365956) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365956
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
SMILESC=C(C)C1(O)CCN2CCC1C2
InChIInChI=1S/C10H17NO/c1-8(2)10(12)4-6-11-5-3-9(10)7-11/h9,12H,1,3-7H2,2H3
InChIKeyHRMGMKQEPGYNLU-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-prop-1-en-2-ylazepan-4-ol
CID 79190908
1-Ethyl-4-prop-1-en-2-ylazepan-4-ol
CID 79191016
4-Prop-1-en-2-yl-1-propylazepan-4-ol
CID 79191123
4-Ethenyl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365721
4-Prop-2-enyl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365862
4-(2-Methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365915

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol (CID 105365956) is 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol is C=C(C)C1(O)CCN2CCC1C2.
What is the InChIKey of 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is HRMGMKQEPGYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)10(12)4-6-11-5-3-9(10)7-11/h9,12H,1,3-7H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol?
4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).