4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol

C11H19NO — CID 105365915

IUPAC4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC(C)=CC1(O)CCN2CCC1C2
InChIInChI=1S/C11H19NO/c1-9(2)7-11(13)4-6-12-5-3-10(11)8-12/h7,10,13H,3-6,8H2,1-2H3
InChIKeyMFQSGONODONTSU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365915) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365915
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCC(C)=CC1(O)CCN2CCC1C2
InChIInChI=1S/C11H19NO/c1-9(2)7-11(13)4-6-12-5-3-10(11)8-12/h7,10,13H,3-6,8H2,1-2H3
InChIKeyMFQSGONODONTSU-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
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

4-(2-Methylprop-1-enyl)-1-propylazepan-4-ol
CID 79189481
4-(2-Methylprop-1-enyl)-1-propan-2-ylazepan-4-ol
CID 79189587
1-Methyl-4-(2-methylprop-1-enyl)azepan-4-ol
CID 79191015
1-Ethyl-4-(2-methylprop-1-enyl)azepan-4-ol
CID 79191122
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-Prop-1-en-2-yl-1-azabicyclo[3.2.1]octan-4-ol
CID 105365956
(1Z)-1-(1-azabicyclo[3.2.1]octan-4-ylidene)propan-2-ol
CID 105366385
4-(Cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 106651684
4-(Cyclohexen-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 106651685
4-(Cyclohepten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 106651686
1,3-Dimethyl-4-(2-methylprop-1-enyl)piperidin-4-ol
CID 130878903

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365915) is 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol is CC(C)=CC1(O)CCN2CCC1C2.
What is the InChIKey of 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is MFQSGONODONTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)7-11(13)4-6-12-5-3-10(11)8-12/h7,10,13H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).